3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile

C11H15N3O — CID 104586935

IUPAC3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile
SMILESCc1ccc(O)c(CNC(C)CC#N)n1
InChIInChI=1S/C11H15N3O/c1-8(5-6-12)13-7-10-11(15)4-3-9(2)14-10/h3-4,8,13,15H,5,7H2,1-2H3
InChIKeyVZAFEMILAOGENT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.49
Rot. Bonds4

About 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile

3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile (PubChem CID 104586935) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile
PubChem CID104586935
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile
SMILESCc1ccc(O)c(CNC(C)CC#N)n1
InChIInChI=1S/C11H15N3O/c1-8(5-6-12)13-7-10-11(15)4-3-9(2)14-10/h3-4,8,13,15H,5,7H2,1-2H3
InChIKeyVZAFEMILAOGENT-UHFFFAOYSA-N
XLogP1.49
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-2-ethyl-3-hydroxypyridine
CID 114681
2,6-Dimethyl-3-pyridinol
CID 70732
2-((Dimethylamino)methyl)pyridin-3-ol
CID 75108
6-Methyl-2-ethyl-3-hydroxypyridine hydrochloride
CID 128852
2-((Diethylamino)methyl)-3-pyridinol
CID 252255
3-Hydroxypyridine-2-carbonitrile
CID 101920
2-[[Ethyl(methyl)amino]methyl]pyridin-3-ol
CID 101010642
Prisotinol
CID 131302
4-Amino-2-ethyl-6-methyl-3-pyridinol
CID 785261
5-Hydroxypyridine-2-carbonitrile
CID 21413773
2,6-Bis((dimethylamino)methyl)-3-pyridinol
CID 252256
6-[2-(Tert-butylamino)-1-hydroxyethyl]-2-methylpyridin-3-ol
CID 12397274

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile?
The IUPAC name of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile (CID 104586935) is 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile.
What is the SMILES notation for 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile?
The canonical SMILES for 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile is Cc1ccc(O)c(CNC(C)CC#N)n1.
What is the InChIKey of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile?
The InChIKey is VZAFEMILAOGENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(5-6-12)13-7-10-11(15)4-3-9(2)14-10/h3-4,8,13,15H,5,7H2,1-2H3.
What are the key properties of 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile?
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile is sourced from PubChem (CID 104586935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).