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

C25H30N4O3 — CID 3224883

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CN2C1=NC(=O)CC2(C)C(=O)N(CC(=O)NC1CCCC1)c1ccccc1C
InChIInChI=1S/C25H30N4O3/c1-17-9-4-7-13-20(17)28(16-22(31)26-19-11-5-6-12-19)24(32)25(3)15-21(30)27-23-18(2)10-8-14-29(23)25/h4,7-10,13-14,19H,5-6,11-12,15-16H2,1-3H3,(H,26,31)
InChIKeyFWSBLHODBQUIFG-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.25
Rot. Bonds5

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

N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224883) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224883
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CN2C1=NC(=O)CC2(C)C(=O)N(CC(=O)NC1CCCC1)c1ccccc1C
InChIInChI=1S/C25H30N4O3/c1-17-9-4-7-13-20(17)28(16-22(31)26-19-11-5-6-12-19)24(32)25(3)15-21(30)27-23-18(2)10-8-14-29(23)25/h4,7-10,13-14,19H,5-6,11-12,15-16H2,1-3H3,(H,26,31)
InChIKeyFWSBLHODBQUIFG-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224883) is N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-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]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CC=CN2C1=NC(=O)CC2(C)C(=O)N(CC(=O)NC1CCCC1)c1ccccc1C.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is FWSBLHODBQUIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17-9-4-7-13-20(17)28(16-22(31)26-19-11-5-6-12-19)24(32)25(3)15-21(30)27-23-18(2)10-8-14-29(23)25/h4,7-10,13-14,19H,5-6,11-12,15-16H2,1-3H3,(H,26,31).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-4,9-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]-4,9-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).