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

C25H30N4O3 — CID 3224870

IUPACN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)C=C1
InChIInChI=1S/C25H30N4O3/c1-18-12-13-21-27-22(30)14-25(2,29(21)15-18)24(32)28(16-19-8-4-3-5-9-19)17-23(31)26-20-10-6-7-11-20/h3-5,8-9,12-13,15,20H,6-7,10-11,14,16-17H2,1-2H3,(H,26,31)
InChIKeyRDLLMKCOVQMCLA-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.94
Rot. Bonds6

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

N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224870) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224870
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)C=C1
InChIInChI=1S/C25H30N4O3/c1-18-12-13-21-27-22(30)14-25(2,29(21)15-18)24(32)28(16-19-8-4-3-5-9-19)17-23(31)26-20-10-6-7-11-20/h3-5,8-9,12-13,15,20H,6-7,10-11,14,16-17H2,1-2H3,(H,26,31)
InChIKeyRDLLMKCOVQMCLA-UHFFFAOYSA-N
XLogP2.94
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide with MolForge

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Related Compounds

7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
1-benzyl-N-cyclopentyl-2-imino-5-keto-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carboxamide
CID 1546593
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-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
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
7-Chloro-4-methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid cyclopentylcarbamoylmethyl-o-tolyl-amide
CID 3224157
N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224883
2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458482

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224870) is N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)C=C1.
What is the InChIKey of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is RDLLMKCOVQMCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-12-13-21-27-22(30)14-25(2,29(21)15-18)24(32)28(16-19-8-4-3-5-9-19)17-23(31)26-20-10-6-7-11-20/h3-5,8-9,12-13,15,20H,6-7,10-11,14,16-17H2,1-2H3,(H,26,31).
What are the key properties of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).