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

C24H28N4O3 — CID 3224155

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C24H28N4O3/c1-17-9-3-6-12-19(17)27(16-22(30)25-18-10-4-5-11-18)23(31)24(2)15-21(29)26-20-13-7-8-14-28(20)24/h3,6-9,12-14,18H,4-5,10-11,15-16H2,1-2H3,(H,25,30)
InChIKeyMVYXOCUPLWEESU-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.86
Rot. Bonds5

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

N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224155) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224155
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C24H28N4O3/c1-17-9-3-6-12-19(17)27(16-22(30)25-18-10-4-5-11-18)23(31)24(2)15-21(29)26-20-13-7-8-14-28(20)24/h3,6-9,12-14,18H,4-5,10-11,15-16H2,1-2H3,(H,25,30)
InChIKeyMVYXOCUPLWEESU-UHFFFAOYSA-N
XLogP2.86
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.86
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-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224155) is N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-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-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is MVYXOCUPLWEESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-9-3-6-12-19(17)27(16-22(30)25-18-10-4-5-11-18)23(31)24(2)15-21(29)26-20-13-7-8-14-28(20)24/h3,6-9,12-14,18H,4-5,10-11,15-16H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.86, 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-methyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).