4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile

C12H15N3O — CID 115384913

IUPAC4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccnc(C#N)c1)C1CCOC1
InChIInChI=1S/C12H15N3O/c1-15(12-3-5-16-9-12)8-10-2-4-14-11(6-10)7-13/h2,4,6,12H,3,5,8-9H2,1H3
InChIKeyBMCILQIBTSSVDQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.17
Rot. Bonds3

About 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile

4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 115384913) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile
PubChem CID115384913
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccnc(C#N)c1)C1CCOC1
InChIInChI=1S/C12H15N3O/c1-15(12-3-5-16-9-12)8-10-2-4-14-11(6-10)7-13/h2,4,6,12H,3,5,8-9H2,1H3
InChIKeyBMCILQIBTSSVDQ-UHFFFAOYSA-N
XLogP1.17
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile 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

Morpholin-4-yl(pyridin-3-yl)acetonitrile
CID 303572
2-Ethylisonicotinonitrile
CID 73739
2-Cyano-4-methylpyridine
CID 88739
3-Methylpyridine-2-carbonitrile
CID 819928
3-(Cyanomethyl)pyridine-2-carbonitrile
CID 4672598
2-Methylpyridine-3-carbonitrile
CID 4738308
2-Methylpyridine-4-carbonitrile
CID 11959073
3,4-Dimethylpyridine-2-carbonitrile
CID 23003409
3-Ethylpyridine-2-carbonitrile
CID 13415151
5-(1,4-Oxazepan-4-YL)pyridine-2-carbonitrile
CID 79838750
Mls003106934
CID 301902
2-(6-Methylpyridin-3-yl)acetonitrile
CID 11457715

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile (CID 115384913) is 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile is CN(Cc1ccnc(C#N)c1)C1CCOC1.
What is the InChIKey of 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is BMCILQIBTSSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(12-3-5-16-9-12)8-10-2-4-14-11(6-10)7-13/h2,4,6,12H,3,5,8-9H2,1H3.
What are the key properties of 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile?
4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 115384913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).