N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide

C15H13N3O — CID 106752946

IUPACN-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccc(C#N)c2)ccn1
InChIInChI=1S/C15H13N3O/c1-11-8-13(6-7-17-11)15(19)18(2)14-5-3-4-12(9-14)10-16/h3-9H,1-2H3
InChIKeyNBIIMAXPESWYDT-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.54
Rot. Bonds2

About N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide

N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide (PubChem CID 106752946) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
PubChem CID106752946
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccc(C#N)c2)ccn1
InChIInChI=1S/C15H13N3O/c1-11-8-13(6-7-17-11)15(19)18(2)14-5-3-4-12(9-14)10-16/h3-9H,1-2H3
InChIKeyNBIIMAXPESWYDT-UHFFFAOYSA-N
XLogP2.54
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)-N,2-dimethylpyridine-4-carboxamide
CID 107735739
N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide
CID 75433974
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
CID 62983094
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79479305
N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide
CID 55153792
4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide
CID 52822955
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290
5-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981357

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide (CID 106752946) is N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide is Cc1cc(C(=O)N(C)c2cccc(C#N)c2)ccn1.
What is the InChIKey of N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide?
The InChIKey is NBIIMAXPESWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-8-13(6-7-17-11)15(19)18(2)14-5-3-4-12(9-14)10-16/h3-9H,1-2H3.
What are the key properties of N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide?
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 106752946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).