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

C24H28N4O3 — CID 3224110

IUPACN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C24H28N4O3/c1-24(15-21(29)26-20-13-7-8-14-28(20)24)23(31)27(16-18-9-3-2-4-10-18)17-22(30)25-19-11-5-6-12-19/h2-4,7-10,13-14,19H,5-6,11-12,15-17H2,1H3,(H,25,30)
InChIKeyQMIFONXWDCVNAI-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.55
Rot. Bonds6

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

N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224110) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224110
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C24H28N4O3/c1-24(15-21(29)26-20-13-7-8-14-28(20)24)23(31)27(16-18-9-3-2-4-10-18)17-22(30)25-19-11-5-6-12-19/h2-4,7-10,13-14,19H,5-6,11-12,15-17H2,1H3,(H,25,30)
InChIKeyQMIFONXWDCVNAI-UHFFFAOYSA-N
XLogP2.55
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224110) is N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is QMIFONXWDCVNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-24(15-21(29)26-20-13-7-8-14-28(20)24)23(31)27(16-18-9-3-2-4-10-18)17-22(30)25-19-11-5-6-12-19/h2-4,7-10,13-14,19H,5-6,11-12,15-17H2,1H3,(H,25,30).
What are the key properties of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.55, 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-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).