N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide

C19H15N3O3 — CID 89464424

IUPACN-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=Cc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H15N3O3/c23-12-16-20-11-15(18(24)21-16)19(25)22-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,22,25)(H,20,21,24)
InChIKeyWYTKZTFLQJBMSP-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.10
Rot. Bonds5

About N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide

N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 89464424) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID89464424
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=Cc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H15N3O3/c23-12-16-20-11-15(18(24)21-16)19(25)22-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,22,25)(H,20,21,24)
InChIKeyWYTKZTFLQJBMSP-UHFFFAOYSA-N
XLogP2.10
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide;N-benzhydryl-2-[(E)-hydroxyiminomethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 172964660
5-N-benzhydryl-6-oxo-1H-pyrimidine-2,5-dicarboxamide
CID 90341537
N-benzhydryl-2-(nitrosomethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 123951022
2-[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]ethanesulfonic acid
CID 71533348
5-[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidin-2-yl]-2-hydroxy-2-methyl-5-oxopentanoic acid
CID 148748647
[[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino] propanoate
CID 145057835
N-benzhydryl-2-(3-diethoxyphosphorylpropanoyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 159834093
N-benzhydryl-6-oxo-2-(5-oxo-1,3-oxazolidine-3-carbonyl)-1H-pyrimidine-5-carboxamide
CID 121269613
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
5-N-benzhydryl-2-N-(diethoxyphosphanylmethyl)-6-oxo-1H-pyrimidine-2,5-dicarboxamide
CID 129057663
ethyl 3-[5-(benzhydrylcarbamoyl)-6-oxo-1H-pyrimidin-2-yl]-1,2-oxazole-5-carboxylate
CID 89470833
N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 90346975

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 89464424) is N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide is O=Cc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is WYTKZTFLQJBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-12-16-20-11-15(18(24)21-16)19(25)22-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,22,25)(H,20,21,24).
What are the key properties of N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-formyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 89464424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).