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

C25H30N4O3 — CID 3224156

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC2CCCC2)c2ccccc2C)C=C1
InChIInChI=1S/C25H30N4O3/c1-17-12-13-21-27-22(30)14-25(3,29(21)15-17)24(32)28(20-11-7-4-8-18(20)2)16-23(31)26-19-9-5-6-10-19/h4,7-8,11-13,15,19H,5-6,9-10,14,16H2,1-3H3,(H,26,31)
InChIKeyWNZNCZMJONTKTP-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.25
Rot. Bonds5

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

N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224156) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224156
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC2CCCC2)c2ccccc2C)C=C1
InChIInChI=1S/C25H30N4O3/c1-17-12-13-21-27-22(30)14-25(3,29(21)15-17)24(32)28(20-11-7-4-8-18(20)2)16-23(31)26-19-9-5-6-10-19/h4,7-8,11-13,15,19H,5-6,9-10,14,16H2,1-3H3,(H,26,31)
InChIKeyWNZNCZMJONTKTP-UHFFFAOYSA-N
XLogP3.25
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

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-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224116
4-Methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid cyclopentylcarbamoylmethyl-o-tolyl-amide
CID 3224155
7-Chloro-4-methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid cyclopentylcarbamoylmethyl-o-tolyl-amide
CID 3224157
4,7-Dimethyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid benzyl-cyclopentylcarbamoylmethyl-amide
CID 3224870
N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
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
4-Methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid (2-fluoro-phenyl)-[(4-methyl-benzylcarbamoyl)-methyl]-amide
CID 24792400
4-Methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid (4-fluoro-phenyl)-[(4-methyl-benzylcarbamoyl)-methyl]-amide
CID 24792522
4-Methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid {[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-o-tolyl-amide
CID 652068

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224156) is N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC2CCCC2)c2ccccc2C)C=C1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is WNZNCZMJONTKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17-12-13-21-27-22(30)14-25(3,29(21)15-17)24(32)28(20-11-7-4-8-18(20)2)16-23(31)26-19-9-5-6-10-19/h4,7-8,11-13,15,19H,5-6,9-10,14,16H2,1-3H3,(H,26,31).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).