N-(4-chlorophenyl)pyrimidine-2-carboxamide

C11H8ClN3O — CID 56724074

IUPACN-(4-chlorophenyl)pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ncccn1
InChIInChI=1S/C11H8ClN3O/c12-8-2-4-9(5-3-8)15-11(16)10-13-6-1-7-14-10/h1-7H,(H,15,16)
InChIKeyADGAMUOKBJBTKV-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.38
Rot. Bonds2

About N-(4-chlorophenyl)pyrimidine-2-carboxamide

N-(4-chlorophenyl)pyrimidine-2-carboxamide (PubChem CID 56724074) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is N-(4-chlorophenyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)pyrimidine-2-carboxamide
PubChem CID56724074
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC NameN-(4-chlorophenyl)pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ncccn1
InChIInChI=1S/C11H8ClN3O/c12-8-2-4-9(5-3-8)15-11(16)10-13-6-1-7-14-10/h1-7H,(H,15,16)
InChIKeyADGAMUOKBJBTKV-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-chlorophenyl)-6-fluoroquinoline-7-carboxamide
CID 142343829
N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2516944
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
2-amino-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 62154696
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 23632609
N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide
CID 66870112
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)pyrimidine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)pyrimidine-2-carboxamide (CID 56724074) is N-(4-chlorophenyl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)pyrimidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ncccn1.
What is the InChIKey of N-(4-chlorophenyl)pyrimidine-2-carboxamide?
The InChIKey is ADGAMUOKBJBTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-8-2-4-9(5-3-8)15-11(16)10-13-6-1-7-14-10/h1-7H,(H,15,16).
What are the key properties of N-(4-chlorophenyl)pyrimidine-2-carboxamide?
N-(4-chlorophenyl)pyrimidine-2-carboxamide has a molecular weight of 233.66 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 56724074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).