N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide

C12H8N4O2 — CID 110864862

IUPACN-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc[nH]c2=O)c1
InChIInChI=1S/C12H8N4O2/c13-5-8-2-1-3-9(4-8)16-12(18)10-6-14-7-15-11(10)17/h1-4,6-7H,(H,16,18)(H,14,15,17)
InChIKeyWNLDMWDUFKGOPV-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.89
Rot. Bonds2

About N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110864862) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110864862
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC NameN-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc[nH]c2=O)c1
InChIInChI=1S/C12H8N4O2/c13-5-8-2-1-3-9(4-8)16-12(18)10-6-14-7-15-11(10)17/h1-4,6-7H,(H,16,18)(H,14,15,17)
InChIKeyWNLDMWDUFKGOPV-UHFFFAOYSA-N
XLogP0.89
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854
N-(3-cyanophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110864841
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110684044
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47059651
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
3-(6-oxo-1H-pyrimidin-5-yl)benzonitrile
CID 106514390
2,5-dibromo-N-(3-cyanophenyl)benzamide
CID 114369410
N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857850
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 110864862) is N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide is N#Cc1cccc(NC(=O)c2cnc[nH]c2=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is WNLDMWDUFKGOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c13-5-8-2-1-3-9(4-8)16-12(18)10-6-14-7-15-11(10)17/h1-4,6-7H,(H,16,18)(H,14,15,17).
What are the key properties of N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110864862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).