N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C26H32N4O3 — CID 3224116

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC2CCCC2)c2cc(C)cc(C)c2)C=C1
InChIInChI=1S/C26H32N4O3/c1-17-9-10-22-28-23(31)14-26(4,30(22)15-17)25(33)29(21-12-18(2)11-19(3)13-21)16-24(32)27-20-7-5-6-8-20/h9-13,15,20H,5-8,14,16H2,1-4H3,(H,27,32)
InChIKeyMPUKSSRUGATSAU-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224116) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224116
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC2CCCC2)c2cc(C)cc(C)c2)C=C1
InChIInChI=1S/C26H32N4O3/c1-17-9-10-22-28-23(31)14-26(4,30(22)15-17)25(33)29(21-12-18(2)11-19(3)13-21)16-24(32)27-20-7-5-6-8-20/h9-13,15,20H,5-8,14,16H2,1-4H3,(H,27,32)
InChIKeyMPUKSSRUGATSAU-UHFFFAOYSA-N
XLogP3.56
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.56
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]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224116) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC2CCCC2)c2cc(C)cc(C)c2)C=C1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is MPUKSSRUGATSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-17-9-10-22-28-23(31)14-26(4,30(22)15-17)25(33)29(21-12-18(2)11-19(3)13-21)16-24(32)27-20-7-5-6-8-20/h9-13,15,20H,5-8,14,16H2,1-4H3,(H,27,32).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.56, 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]-N-(3,5-dimethylphenyl)-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).