(6-Aminopyridin-2-yl)(1-methylpiperidin-4-yl)methanone

Cat. No.: PI613678038

Product Details Other Identifiers Computed Properties

CAS	613678-03-8
Purity	98%
Molecular Formula	C12H17N3O
Molecular Weight	219.28
Molar Refractivity	67.57

Pubchem ID	11401723
InChI Key	YLTJVIIEHKBRPA-UHFFFAOYSA-N
MDL Number	MFCD22575148

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	2
Topological Polar Surface Area	59.22 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.5
Log Po/w (iLOGP)	2.12
Log Po/w (XLOGP3)	1.02
Log Po/w (WLOGP)	0.82
Log Po/w (MLOGP)	0.6
Log Po/w (SILICOS-IT)	1.2
Consensus Log Po/w	1.15
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.91 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.95

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