N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide

C19H17N3O3 — CID 14444896

IUPACN-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccccc2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C19H17N3O3/c1-21-18(24)16(17(23)20-12-14-8-4-2-5-9-14)13-22(19(21)25)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,23)
InChIKeyOTFSTOATGYVACV-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.47
Rot. Bonds4

About N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide

N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide (PubChem CID 14444896) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide
PubChem CID14444896
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccccc2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C19H17N3O3/c1-21-18(24)16(17(23)20-12-14-8-4-2-5-9-14)13-22(19(21)25)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,23)
InChIKeyOTFSTOATGYVACV-UHFFFAOYSA-N
XLogP1.47
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide
CID 101349667
1-(4-benzamidophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119434
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
N-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 143596637
N-benzyl-1-butyl-2-oxo-6-propylpyridine-3-carboxamide
CID 23588020
N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 160523157
7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476483
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide (CID 14444896) is N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide is Cn1c(=O)c(C(=O)NCc2ccccc2)cn(-c2ccccc2)c1=O.
What is the InChIKey of N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide?
The InChIKey is OTFSTOATGYVACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21-18(24)16(17(23)20-12-14-8-4-2-5-9-14)13-22(19(21)25)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,20,23).
What are the key properties of N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide?
N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 14444896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).