6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide

C16H15N3O — CID 115116559

IUPAC6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2cccc(C#N)n2)cc1
InChIInChI=1S/C16H15N3O/c1-12-5-7-13(8-6-12)9-10-18-16(20)15-4-2-3-14(11-17)19-15/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyJMOSMQJUBLCAAI-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.23
Rot. Bonds4

About 6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide

6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 115116559) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID115116559
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2cccc(C#N)n2)cc1
InChIInChI=1S/C16H15N3O/c1-12-5-7-13(8-6-12)9-10-18-16(20)15-4-2-3-14(11-17)19-15/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyJMOSMQJUBLCAAI-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 115116507
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide
CID 115116565
6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 115116521
6-cyano-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 115116575
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62239248
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
6-N-(3,5-dimethylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098441
6-N-(2,6-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098596
N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110483053

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide (CID 115116559) is 6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide is Cc1ccc(CCNC(=O)c2cccc(C#N)n2)cc1.
What is the InChIKey of 6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is JMOSMQJUBLCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-5-7-13(8-6-12)9-10-18-16(20)15-4-2-3-14(11-17)19-15/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of 6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115116559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).