N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C25H30N4O4 — CID 3224869

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC(C)=CN21
InChIInChI=1S/C25H30N4O4/c1-17-12-13-21-27-22(30)14-25(2,29(21)15-17)24(32)28(19-10-6-7-11-20(19)33-3)16-23(31)26-18-8-4-5-9-18/h6-7,10-13,15,18H,4-5,8-9,14,16H2,1-3H3,(H,26,31)
InChIKeyROYFQFWLSKPUGJ-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224869) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224869
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC(C)=CN21
InChIInChI=1S/C25H30N4O4/c1-17-12-13-21-27-22(30)14-25(2,29(21)15-17)24(32)28(19-10-6-7-11-20(19)33-3)16-23(31)26-18-8-4-5-9-18/h6-7,10-13,15,18H,4-5,8-9,14,16H2,1-3H3,(H,26,31)
InChIKeyROYFQFWLSKPUGJ-UHFFFAOYSA-N
XLogP2.95
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224869) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC(C)=CN21.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is ROYFQFWLSKPUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-17-12-13-21-27-22(30)14-25(2,29(21)15-17)24(32)28(19-10-6-7-11-20(19)33-3)16-23(31)26-18-8-4-5-9-18/h6-7,10-13,15,18H,4-5,8-9,14,16H2,1-3H3,(H,26,31).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).