N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C22H24N4O3 — CID 16620945

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cnc3ccccn3c2=O)N2CCCC2)cc1
InChIInChI=1S/C22H24N4O3/c1-29-17-9-7-16(8-10-17)19(25-11-4-5-12-25)15-24-21(27)18-14-23-20-6-2-3-13-26(20)22(18)28/h2-3,6-10,13-14,19H,4-5,11-12,15H2,1H3,(H,24,27)
InChIKeyZVCJGXMUWPVOTP-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.27
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16620945) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16620945
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cnc3ccccn3c2=O)N2CCCC2)cc1
InChIInChI=1S/C22H24N4O3/c1-29-17-9-7-16(8-10-17)19(25-11-4-5-12-25)15-24-21(27)18-14-23-20-6-2-3-13-26(20)22(18)28/h2-3,6-10,13-14,19H,4-5,11-12,15H2,1H3,(H,24,27)
InChIKeyZVCJGXMUWPVOTP-UHFFFAOYSA-N
XLogP2.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94176269
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
2-imidazo[1,2-a]pyridin-2-yl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 86918020
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173415
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110301839
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
1-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111308758
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 40849817

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16620945) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(C(CNC(=O)c2cnc3ccccn3c2=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZVCJGXMUWPVOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-29-17-9-7-16(8-10-17)19(25-11-4-5-12-25)15-24-21(27)18-14-23-20-6-2-3-13-26(20)22(18)28/h2-3,6-10,13-14,19H,4-5,11-12,15H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16620945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).