N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C13H10N4O2 — CID 110864734

IUPACN-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2C#N)c(=O)[nH]1
InChIInChI=1S/C13H10N4O2/c1-8-15-7-10(12(18)16-8)13(19)17-11-5-3-2-4-9(11)6-14/h2-5,7H,1H3,(H,17,19)(H,15,16,18)
InChIKeyXEUGEHIQPIQKLF-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.20
Rot. Bonds2

About N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110864734) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110864734
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC NameN-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2C#N)c(=O)[nH]1
InChIInChI=1S/C13H10N4O2/c1-8-15-7-10(12(18)16-8)13(19)17-11-5-3-2-4-9(11)6-14/h2-5,7H,1H3,(H,17,19)(H,15,16,18)
InChIKeyXEUGEHIQPIQKLF-UHFFFAOYSA-N
XLogP1.20
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-cyanophenyl)-2-methylpyridine-3-carboxamide
CID 54913836
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110864602
N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280815
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096
N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857421
N-(2-cyanophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 110299301
4-amino-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 81235852
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66494953
N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864656

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110864734) is N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccccc2C#N)c(=O)[nH]1.
What is the InChIKey of N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XEUGEHIQPIQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-8-15-7-10(12(18)16-8)13(19)17-11-5-3-2-4-9(11)6-14/h2-5,7H,1H3,(H,17,19)(H,15,16,18).
What are the key properties of N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110864734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).