N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C25H30N4O3 — CID 3224885

IUPACN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CN2C1=NC(=O)CC2(C)C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1
InChIInChI=1S/C25H30N4O3/c1-18-9-8-14-29-23(18)27-21(30)15-25(29,2)24(32)28(16-19-10-4-3-5-11-19)17-22(31)26-20-12-6-7-13-20/h3-5,8-11,14,20H,6-7,12-13,15-17H2,1-2H3,(H,26,31)
InChIKeyBTWRCKNHFIYJAG-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.94
Rot. Bonds6

About N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224885) 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]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224885
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CN2C1=NC(=O)CC2(C)C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1
InChIInChI=1S/C25H30N4O3/c1-18-9-8-14-29-23(18)27-21(30)15-25(29,2)24(32)28(16-19-10-4-3-5-11-19)17-22(31)26-20-12-6-7-13-20/h3-5,8-11,14,20H,6-7,12-13,15-17H2,1-2H3,(H,26,31)
InChIKeyBTWRCKNHFIYJAG-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]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-Carbamimidoyl-benzyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 10273521
7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
2-hydroxy-9-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458502
1-Butyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 3432697
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224885) is N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CC=CN2C1=NC(=O)CC2(C)C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is BTWRCKNHFIYJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-9-8-14-29-23(18)27-21(30)15-25(29,2)24(32)28(16-19-10-4-3-5-11-19)17-22(31)26-20-12-6-7-13-20/h3-5,8-11,14,20H,6-7,12-13,15-17H2,1-2H3,(H,26,31).
What are the key properties of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-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]-4,9-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).