6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide

C16H15N3O — CID 67567287

IUPAC6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(C#N)nc2)cc1
InChIInChI=1S/C16H15N3O/c1-2-12-3-5-13(6-4-12)10-19-16(20)14-7-8-15(9-17)18-11-14/h3-8,11H,2,10H2,1H3,(H,19,20)
InChIKeyWGZSUSJWTNNRFD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.45
Rot. Bonds4

About 6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide

6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 67567287) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
PubChem CID67567287
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(C#N)nc2)cc1
InChIInChI=1S/C16H15N3O/c1-2-12-3-5-13(6-4-12)10-19-16(20)14-7-8-15(9-17)18-11-14/h3-8,11H,2,10H2,1H3,(H,19,20)
InChIKeyWGZSUSJWTNNRFD-UHFFFAOYSA-N
XLogP2.45
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 90650149
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 91831670
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
CID 115487644
6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115670742
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
6-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 51370237
6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
CID 90651357
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide (CID 67567287) is 6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide is CCc1ccc(CNC(=O)c2ccc(C#N)nc2)cc1.
What is the InChIKey of 6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is WGZSUSJWTNNRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-12-3-5-13(6-4-12)10-19-16(20)14-7-8-15(9-17)18-11-14/h3-8,11H,2,10H2,1H3,(H,19,20).
What are the key properties of 6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide?
6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 67567287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).