N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide

C10H11N3O — CID 178152271

IUPACN-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(C#N)ccn1
InChIInChI=1S/C10H11N3O/c1-8(14)13(2)7-10-5-9(6-11)3-4-12-10/h3-5H,7H2,1-2H3
InChIKeyNKQGIDLETQCNIE-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.93
Rot. Bonds2

About N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide

N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide (PubChem CID 178152271) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide
PubChem CID178152271
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(C#N)ccn1
InChIInChI=1S/C10H11N3O/c1-8(14)13(2)7-10-5-9(6-11)3-4-12-10/h3-5H,7H2,1-2H3
InChIKeyNKQGIDLETQCNIE-UHFFFAOYSA-N
XLogP0.93
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide 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

2-(3-methylbut-3-enyl)pyridine-4-carbonitrile
CID 10654779
2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile
CID 157147988
ethyl 3-(4-cyano-2-pyridinyl)propanoate
CID 67528036
4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 115116879
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692
N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 58166119
2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile
CID 139407498
N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
(2S)-N-(4-cyano-2-pyridinyl)-N,2-dimethylhexanamide
CID 124874127
4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide
CID 11031719
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide (CID 178152271) is N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1cc(C#N)ccn1.
What is the InChIKey of N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide?
The InChIKey is NKQGIDLETQCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8(14)13(2)7-10-5-9(6-11)3-4-12-10/h3-5H,7H2,1-2H3.
What are the key properties of N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide?
N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide has a molecular weight of 189.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide is sourced from PubChem (CID 178152271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).