6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide

C23H17N3O3 — CID 92648652

IUPAC6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C23H17N3O3/c27-22(20-15-24-21(26-23(20)28)16-7-3-1-4-8-16)25-17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-15H,(H,25,27)(H,24,26,28)
InChIKeyLDOCDBWGPKTJBT-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.48
Rot. Bonds5

About 6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide

6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 92648652) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID92648652
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C23H17N3O3/c27-22(20-15-24-21(26-23(20)28)16-7-3-1-4-8-16)25-17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-15H,(H,25,27)(H,24,26,28)
InChIKeyLDOCDBWGPKTJBT-UHFFFAOYSA-N
XLogP4.48
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648623
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648753
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648657
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648757
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
methyl 5-[(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 92648749
N-(2,4-dimethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648606
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648639
N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648710
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
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide (CID 92648652) is 6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is LDOCDBWGPKTJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-22(20-15-24-21(26-23(20)28)16-7-3-1-4-8-16)25-17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-15H,(H,25,27)(H,24,26,28).
What are the key properties of 6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide?
6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 92648652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).