2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide

C13H16N4O — CID 115116174

IUPAC2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccnc(CC#N)c2)C1
InChIInChI=1S/C13H16N4O/c1-17-7-4-12(9-17)16-13(18)10-3-6-15-11(8-10)2-5-14/h3,6,8,12H,2,4,7,9H2,1H3,(H,16,18)
InChIKeyCQWGKKSYGZNLNV-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.58
Rot. Bonds3

About 2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide

2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide (PubChem CID 115116174) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
PubChem CID115116174
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccnc(CC#N)c2)C1
InChIInChI=1S/C13H16N4O/c1-17-7-4-12(9-17)16-13(18)10-3-6-15-11(8-10)2-5-14/h3,6,8,12H,2,4,7,9H2,1H3,(H,16,18)
InChIKeyCQWGKKSYGZNLNV-UHFFFAOYSA-N
XLogP0.58
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116342
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 115115642
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide
CID 115116163
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide (CID 115116174) is 2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide is CN1CCC(NC(=O)c2ccnc(CC#N)c2)C1.
What is the InChIKey of 2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
The InChIKey is CQWGKKSYGZNLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-7-4-12(9-17)16-13(18)10-3-6-15-11(8-10)2-5-14/h3,6,8,12H,2,4,7,9H2,1H3,(H,16,18).
What are the key properties of 2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide?
2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 115116174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).