N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

C19H17N3O2 — CID 92648612

IUPACN-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H17N3O2/c1-2-13-8-6-7-11-16(13)21-18(23)15-12-20-17(22-19(15)24)14-9-4-3-5-10-14/h3-12H,2H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyRDZXFZCVGRKWKV-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.25
Rot. Bonds4

About N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 92648612) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID92648612
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H17N3O2/c1-2-13-8-6-7-11-16(13)21-18(23)15-12-20-17(22-19(15)24)14-9-4-3-5-10-14/h3-12H,2H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyRDZXFZCVGRKWKV-UHFFFAOYSA-N
XLogP3.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648606
N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498057
N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648639
6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648652
N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648623
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648753
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151
N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648710
N-(2-ethylphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497727
N-(2-ethylphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5076109
N-(2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 46918187

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (CID 92648612) is N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is CCc1ccccc1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is RDZXFZCVGRKWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-13-8-6-7-11-16(13)21-18(23)15-12-20-17(22-19(15)24)14-9-4-3-5-10-14/h3-12H,2H2,1H3,(H,21,23)(H,20,22,24).
What are the key properties of N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 92648612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).