4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C13H10ClN3O — CID 12046768

IUPAC4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C13H10ClN3O/c1-8-6-12(11(7-15)13(18)16-8)17-10-4-2-9(14)3-5-10/h2-6H,1H3,(H2,16,17,18)
InChIKeyCTMBAQZGRWZNHK-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.95
Rot. Bonds2

About 4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 12046768) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID12046768
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C13H10ClN3O/c1-8-6-12(11(7-15)13(18)16-8)17-10-4-2-9(14)3-5-10/h2-6H,1H3,(H2,16,17,18)
InChIKeyCTMBAQZGRWZNHK-UHFFFAOYSA-N
XLogP2.95
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801
4-(2-bromo-5-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584524
4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 1380777
4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587062
2-(4-chloroanilino)-4-(2,4-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135476213
6-methyl-2-oxo-4-(2,3,6-trichlorophenyl)-1H-pyridine-3-carbonitrile
CID 168586700
4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586093
4-(4-chloro-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585123
N-[4-[2-(4-chloroanilino)-5-cyano-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide
CID 135682384
4-(2-chloro-5-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587175
4-tert-butyl-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile;ethane
CID 142311064
4-(4-chlorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139921187

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 12046768) is 4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(Nc2ccc(Cl)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is CTMBAQZGRWZNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-8-6-12(11(7-15)13(18)16-8)17-10-4-2-9(14)3-5-10/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 259.70 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 12046768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).