N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide

C16H15N3O — CID 62059398

IUPACN-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C#N)ccc2C)c(C)n1
InChIInChI=1S/C16H15N3O/c1-10-4-6-13(9-17)8-15(10)19-16(20)14-7-5-11(2)18-12(14)3/h4-8H,1-3H3,(H,19,20)
InChIKeyUDBKPLRLAJGUFP-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.13
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide

N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62059398) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID62059398
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C#N)ccc2C)c(C)n1
InChIInChI=1S/C16H15N3O/c1-10-4-6-13(9-17)8-15(10)19-16(20)14-7-5-11(2)18-12(14)3/h4-8H,1-3H3,(H,19,20)
InChIKeyUDBKPLRLAJGUFP-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

N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 78965569
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide
CID 78981326
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
CID 62510979
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
CID 106852116

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide (CID 62059398) is N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)c(C)n1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is UDBKPLRLAJGUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-4-6-13(9-17)8-15(10)19-16(20)14-7-5-11(2)18-12(14)3/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-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 N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62059398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).