N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide

C15H14N4O — CID 78965569

IUPACN-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cc2N)c(C)n1
InChIInChI=1S/C15H14N4O/c1-9-3-5-12(10(2)18-9)15(20)19-14-6-4-11(8-16)7-13(14)17/h3-7H,17H2,1-2H3,(H,19,20)
InChIKeyJRUXWAKZOKQMOR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.40
Rot. Bonds2

About N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide

N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 78965569) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID78965569
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cc2N)c(C)n1
InChIInChI=1S/C15H14N4O/c1-9-3-5-12(10(2)18-9)15(20)19-14-6-4-11(8-16)7-13(14)17/h3-7H,17H2,1-2H3,(H,19,20)
InChIKeyJRUXWAKZOKQMOR-UHFFFAOYSA-N
XLogP2.40
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62828848
N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415
N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830762
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
N-(4-amino-2-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62831114
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-amino-4-cyanophenyl)-5-methylfuran-2-carboxamide
CID 78965516
N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81313433
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367
N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298380

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide (CID 78965569) is N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(C#N)cc2N)c(C)n1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is JRUXWAKZOKQMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-3-5-12(10(2)18-9)15(20)19-14-6-4-11(8-16)7-13(14)17/h3-7H,17H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 78965569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).