N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C25H30N4O3 — CID 3224861

IUPACN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3)N12
InChIInChI=1S/C25H30N4O3/c1-18-9-8-14-21-27-22(30)15-25(2,29(18)21)24(32)28(16-19-10-4-3-5-11-19)17-23(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)
InChIKeyBTMNQUWQRAADJC-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.94
Rot. Bonds6

About N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224861) 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]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224861
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3)N12
InChIInChI=1S/C25H30N4O3/c1-18-9-8-14-21-27-22(30)15-25(2,29(18)21)24(32)28(16-19-10-4-3-5-11-19)17-23(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)
InChIKeyBTMNQUWQRAADJC-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]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide with MolForge

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Related Compounds

(4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 7436647
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224114
(4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 7226830
(4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 7436657
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 3221380
N',N'-dibenzyl-N-cyclopentyloxamide
CID 108505966
N'-benzyl-N-cyclododecyl-N'-methyloxamide
CID 108517350
N'-benzyl-N-cyclopentyl-N'-methylpropanediamide
CID 108942140
N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide
CID 60619843
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224861) is N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3)N12.
What is the InChIKey of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is BTMNQUWQRAADJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-9-8-14-21-27-22(30)15-25(2,29(18)21)24(32)28(16-19-10-4-3-5-11-19)17-23(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]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-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]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).