1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

C21H17ClN4O4 — CID 52996204

IUPAC1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2Cl)c2c(n(Cc3ccccc3)c(=O)[nH]c2=O)N1
InChIInChI=1S/C21H17ClN4O4/c22-14-8-4-5-9-15(14)23-19(28)13-10-16(27)24-18-17(13)20(29)25-21(30)26(18)11-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,23,28)(H,24,27)(H,25,29,30)
InChIKeySMOVIZOJCUNHNN-UHFFFAOYSA-N
MW424.84 g/mol
LogP2.30
Rot. Bonds4

About 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 52996204) has the molecular formula C21H17ClN4O4 and a molecular weight of 424.84 g/mol. Its IUPAC name is 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID52996204
Molecular FormulaC21H17ClN4O4
Molecular Weight424.84 g/mol
Exact Mass424.09
IUPAC Name1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2Cl)c2c(n(Cc3ccccc3)c(=O)[nH]c2=O)N1
InChIInChI=1S/C21H17ClN4O4/c22-14-8-4-5-9-15(14)23-19(28)13-10-16(27)24-18-17(13)20(29)25-21(30)26(18)11-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,23,28)(H,24,27)(H,25,29,30)
InChIKeySMOVIZOJCUNHNN-UHFFFAOYSA-N
XLogP2.30
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 52996204) is 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is O=C1CC(C(=O)Nc2ccccc2Cl)c2c(n(Cc3ccccc3)c(=O)[nH]c2=O)N1.
What is the InChIKey of 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is SMOVIZOJCUNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O4/c22-14-8-4-5-9-15(14)23-19(28)13-10-16(27)24-18-17(13)20(29)25-21(30)26(18)11-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,23,28)(H,24,27)(H,25,29,30).
What are the key properties of 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 424.84 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-chlorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 52996204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).