7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C24H27ClN4O3 — CID 3224157

IUPAC7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC(Cl)=CN21
InChIInChI=1S/C24H27ClN4O3/c1-16-7-3-6-10-19(16)28(15-22(31)26-18-8-4-5-9-18)23(32)24(2)13-21(30)27-20-12-11-17(25)14-29(20)24/h3,6-7,10-12,14,18H,4-5,8-9,13,15H2,1-2H3,(H,26,31)
InChIKeySNLNAWJVKGKDKJ-UHFFFAOYSA-N
MW454.96 g/mol
LogP3.43
Rot. Bonds5

About 7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224157) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224157
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC(Cl)=CN21
InChIInChI=1S/C24H27ClN4O3/c1-16-7-3-6-10-19(16)28(15-22(31)26-18-8-4-5-9-18)23(32)24(2)13-21(30)27-20-12-11-17(25)14-29(20)24/h3,6-7,10-12,14,18H,4-5,8-9,13,15H2,1-2H3,(H,26,31)
InChIKeySNLNAWJVKGKDKJ-UHFFFAOYSA-N
XLogP3.43
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2-methylphenyl)-4-oxo-
CID 3075179
4-Methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid benzyl-cyclopentylcarbamoylmethyl-amide
CID 3224110
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224113
N-Cyclopentyl-2-(1-{4,7-dimethyl-2-oxo-3H-pyrido[1,2-A]pyrimidin-4-YL}-N-(3,5-dimethylphenyl)formamido)acetamide
CID 3224116
4,7-Dimethyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid (4-chloro-benzyl)-cyclopentylcarbamoylmethyl-amide
CID 3224117
4,6-Dimethyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid (4-chloro-benzyl)-cyclopentylcarbamoylmethyl-amide
CID 3224118
4-Methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid cyclopentylcarbamoylmethyl-o-tolyl-amide
CID 3224155
N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224156
2-(N-Benzyl-1-{4,7-dimethyl-2-oxo-3H-pyrido[1,2-A]pyrimidin-4-YL}formamido)-N-cyclopentylacetamide
CID 3224870
N-Cyclopentyl-2-(1-{4,9-dimethyl-2-oxo-3H-pyrido[1,2-A]pyrimidin-4-YL}-N-(2-methylphenyl)formamido)acetamide
CID 3224883
2-({2-[2-(butylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(2-methylphenyl)acetamide
CID 3237817
2-[N-(2-Fluorophenyl)-1-{4-methyl-2-oxo-3H-pyrido[1,2-A]pyrimidin-4-YL}formamido]-N-[(4-methylphenyl)methyl]acetamide
CID 24792400

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of 7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224157) is 7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC(Cl)=CN21.
What is the InChIKey of 7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is SNLNAWJVKGKDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-16-7-3-6-10-19(16)28(15-22(31)26-18-8-4-5-9-18)23(32)24(2)13-21(30)27-20-12-11-17(25)14-29(20)24/h3,6-7,10-12,14,18H,4-5,8-9,13,15H2,1-2H3,(H,26,31).
What are the key properties of 7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).