N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C25H29ClN4O3 — CID 3224118

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC3CCCC3)Cc3ccc(Cl)cc3)N12
InChIInChI=1S/C25H29ClN4O3/c1-17-6-5-9-21-28-22(31)14-25(2,30(17)21)24(33)29(15-18-10-12-19(26)13-11-18)16-23(32)27-20-7-3-4-8-20/h5-6,9-13,20H,3-4,7-8,14-16H2,1-2H3,(H,27,32)
InChIKeyBJSKYFZXRZGBBN-UHFFFAOYSA-N
MW468.99 g/mol
LogP3.59
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3224118) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3224118
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC3CCCC3)Cc3ccc(Cl)cc3)N12
InChIInChI=1S/C25H29ClN4O3/c1-17-6-5-9-21-28-22(31)14-25(2,30(17)21)24(33)29(15-18-10-12-19(26)13-11-18)16-23(32)27-20-7-3-4-8-20/h5-6,9-13,20H,3-4,7-8,14-16H2,1-2H3,(H,27,32)
InChIKeyBJSKYFZXRZGBBN-UHFFFAOYSA-N
XLogP3.59
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3224118) is N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC3CCCC3)Cc3ccc(Cl)cc3)N12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is BJSKYFZXRZGBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-17-6-5-9-21-28-22(31)14-25(2,30(17)21)24(33)29(15-18-10-12-19(26)13-11-18)16-23(32)27-20-7-3-4-8-20/h5-6,9-13,20H,3-4,7-8,14-16H2,1-2H3,(H,27,32).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 468.99 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3224118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).