N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H23N3O4 — CID 24676961

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(CN(CC)C(=O)c2cnc3ccccn3c2=O)cc1OC
InChIInChI=1S/C21H23N3O4/c1-4-23(14-15-9-10-17(28-5-2)18(12-15)27-3)20(25)16-13-22-19-8-6-7-11-24(19)21(16)26/h6-13H,4-5,14H2,1-3H3
InChIKeyXNHZBKSWOTZHMB-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.76
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 24676961) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID24676961
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(CN(CC)C(=O)c2cnc3ccccn3c2=O)cc1OC
InChIInChI=1S/C21H23N3O4/c1-4-23(14-15-9-10-17(28-5-2)18(12-15)27-3)20(25)16-13-22-19-8-6-7-11-24(19)21(16)26/h6-13H,4-5,14H2,1-3H3
InChIKeyXNHZBKSWOTZHMB-UHFFFAOYSA-N
XLogP2.76
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-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-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-oxo-1H-quinoline-3-carboxamide
CID 24655966
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 56795807
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34468319
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
CID 31443168
4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 71802023
2-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 24548566
N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 24676961) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCOc1ccc(CN(CC)C(=O)c2cnc3ccccn3c2=O)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XNHZBKSWOTZHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-23(14-15-9-10-17(28-5-2)18(12-15)27-3)20(25)16-13-22-19-8-6-7-11-24(19)21(16)26/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24676961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).