1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C22H17ClN4O3 — CID 66495728

IUPAC1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(cc1C(=O)Nc1ccc(Cl)cc1)c(=O)[nH]c(=O)n2Cc1ccccc1
InChIInChI=1S/C22H17ClN4O3/c1-13-17(20(28)25-16-9-7-15(23)8-10-16)11-18-19(24-13)27(22(30)26-21(18)29)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,25,28)(H,26,29,30)
InChIKeyMRUGCUWPFWMSQX-UHFFFAOYSA-N
MW420.86 g/mol
LogP3.35
Rot. Bonds4

About 1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 66495728) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is 1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID66495728
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC Name1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(cc1C(=O)Nc1ccc(Cl)cc1)c(=O)[nH]c(=O)n2Cc1ccccc1
InChIInChI=1S/C22H17ClN4O3/c1-13-17(20(28)25-16-9-7-15(23)8-10-16)11-18-19(24-13)27(22(30)26-21(18)29)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,25,28)(H,26,29,30)
InChIKeyMRUGCUWPFWMSQX-UHFFFAOYSA-N
XLogP3.35
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 66495728) is 1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1nc2c(cc1C(=O)Nc1ccc(Cl)cc1)c(=O)[nH]c(=O)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MRUGCUWPFWMSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c1-13-17(20(28)25-16-9-7-15(23)8-10-16)11-18-19(24-13)27(22(30)26-21(18)29)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,25,28)(H,26,29,30).
What are the key properties of 1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 420.86 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 66495728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).