5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide

C16H15N3O — CID 115116632

IUPAC5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C#N)cn2)cc1C
InChIInChI=1S/C16H15N3O/c1-10-6-12(3)15(7-11(10)2)19-16(20)14-5-4-13(8-17)9-18-14/h4-7,9H,1-3H3,(H,19,20)
InChIKeyFUGPNCIHVFLORD-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.13
Rot. Bonds2

About 5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide

5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide (PubChem CID 115116632) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
PubChem CID115116632
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C#N)cn2)cc1C
InChIInChI=1S/C16H15N3O/c1-10-6-12(3)15(7-11(10)2)19-16(20)14-5-4-13(8-17)9-18-14/h4-7,9H,1-3H3,(H,19,20)
InChIKeyFUGPNCIHVFLORD-UHFFFAOYSA-N
XLogP3.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 55229412
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479
N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
CID 81003561
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide
CID 63723338
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
5-cyano-N-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 63718471
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide (CID 115116632) is 5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(C#N)cn2)cc1C.
What is the InChIKey of 5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide?
The InChIKey is FUGPNCIHVFLORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-6-12(3)15(7-11(10)2)19-16(20)14-5-4-13(8-17)9-18-14/h4-7,9H,1-3H3,(H,19,20).
What are the key properties of 5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide?
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 115116632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).