N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide

C18H15N3O2 — CID 137147342

IUPACN-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide
SMILESO=C(c1cc(=O)[nH]cn1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17-11-16(19-13-20-17)18(23)21(15-9-5-2-6-10-15)12-14-7-3-1-4-8-14/h1-11,13H,12H2,(H,19,20,22)
InChIKeyUUIIEUPLJBENKU-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.62
Rot. Bonds4

About N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide

N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide (PubChem CID 137147342) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide
PubChem CID137147342
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide
SMILESO=C(c1cc(=O)[nH]cn1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17-11-16(19-13-20-17)18(23)21(15-9-5-2-6-10-15)12-14-7-3-1-4-8-14/h1-11,13H,12H2,(H,19,20,22)
InChIKeyUUIIEUPLJBENKU-UHFFFAOYSA-N
XLogP2.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 62044821
N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 42161824
N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 110862606
N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136599315
N-benzyl-N-phenylquinoline-2-carboxamide
CID 2449862
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide
CID 52733507
2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109079334
2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109080088
N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 30992788
N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109343247

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide (CID 137147342) is N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide is O=C(c1cc(=O)[nH]cn1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide?
The InChIKey is UUIIEUPLJBENKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-11-16(19-13-20-17)18(23)21(15-9-5-2-6-10-15)12-14-7-3-1-4-8-14/h1-11,13H,12H2,(H,19,20,22).
What are the key properties of N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide?
N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-oxo-N-phenyl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137147342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).