N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide

C24H21ClN4O3 — CID 66498667

IUPACN-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc2c(=O)[nH]c(=O)n(CCc3ccccc3)c2nc1C
InChIInChI=1S/C24H21ClN4O3/c1-14-8-9-17(25)12-20(14)27-22(30)18-13-19-21(26-15(18)2)29(24(32)28-23(19)31)11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,27,30)(H,28,31,32)
InChIKeyGWKAIXXIWYNMII-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.85
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide

N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 66498667) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID66498667
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC NameN-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc2c(=O)[nH]c(=O)n(CCc3ccccc3)c2nc1C
InChIInChI=1S/C24H21ClN4O3/c1-14-8-9-17(25)12-20(14)27-22(30)18-13-19-21(26-15(18)2)29(24(32)28-23(19)31)11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,27,30)(H,28,31,32)
InChIKeyGWKAIXXIWYNMII-UHFFFAOYSA-N
XLogP3.85
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66495728
1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498762
N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56738088
7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498745
N-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737907
1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498750
3-benzyl-N-(5-chloro-2-methylphenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 27369243
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
N-(5-chloro-2-methylphenyl)-2-[1,5-dioxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]acetamide
CID 50769067
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 20947019
N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497391

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 66498667) is N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc2c(=O)[nH]c(=O)n(CCc3ccccc3)c2nc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GWKAIXXIWYNMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-14-8-9-17(25)12-20(14)27-22(30)18-13-19-21(26-15(18)2)29(24(32)28-23(19)31)11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3,(H,27,30)(H,28,31,32).
What are the key properties of N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 448.91 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 66498667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).