N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide

C14H10ClN3O2 — CID 103799723

IUPACN-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1=O
InChIInChI=1S/C14H10ClN3O2/c1-18-5-4-10(7-13(18)19)14(20)17-12-3-2-9(8-16)6-11(12)15/h2-7H,1H3,(H,17,20)
InChIKeyKTVINYLMLKNWIG-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.16
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 103799723) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID103799723
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC NameN-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1=O
InChIInChI=1S/C14H10ClN3O2/c1-18-5-4-10(7-13(18)19)14(20)17-12-3-2-9(8-16)6-11(12)15/h2-7H,1H3,(H,17,20)
InChIKeyKTVINYLMLKNWIG-UHFFFAOYSA-N
XLogP2.16
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
N-(2-bromo-4-chlorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103774923
N-(3,5-dichloro-2-hydroxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103891192
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide
CID 103799816
2-chloro-6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]benzoic acid
CID 63722587
2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 107810212
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 107806880
N-(2-chloro-4-cyanophenyl)-5-hydroxypyridine-3-carboxamide
CID 107808799
4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103811052
N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103799786

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 103799723) is N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cc1=O.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is KTVINYLMLKNWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-18-5-4-10(7-13(18)19)14(20)17-12-3-2-9(8-16)6-11(12)15/h2-7H,1H3,(H,17,20).
What are the key properties of N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103799723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).