2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

C15H14N4O — CID 115115934

IUPAC2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccnc(C#N)c1
InChIInChI=1S/C15H14N4O/c1-19(9-6-13-4-2-3-7-17-13)15(20)12-5-8-18-14(10-12)11-16/h2-5,7-8,10H,6,9H2,1H3
InChIKeyHCBDLSYWWBLKRO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.66
Rot. Bonds4

About 2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (PubChem CID 115115934) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
PubChem CID115115934
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccnc(C#N)c1
InChIInChI=1S/C15H14N4O/c1-19(9-6-13-4-2-3-7-17-13)15(20)12-5-8-18-14(10-12)11-16/h2-5,7-8,10H,6,9H2,1H3
InChIKeyHCBDLSYWWBLKRO-UHFFFAOYSA-N
XLogP1.66
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 115115897
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
CID 115115937
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 58791114
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 66463680

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (CID 115115934) is 2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is CN(CCc1ccccn1)C(=O)c1ccnc(C#N)c1.
What is the InChIKey of 2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is HCBDLSYWWBLKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(9-6-13-4-2-3-7-17-13)15(20)12-5-8-18-14(10-12)11-16/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115115934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).