N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide

C22H22N2O4 — CID 110382737

IUPACN-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cccn(OCc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-3-16-9-11-18(12-10-16)23-21(25)20-8-5-13-24(22(20)26)28-15-17-6-4-7-19(14-17)27-2/h4-14H,3,15H2,1-2H3,(H,23,25)
InChIKeyNBEMPVRETJELMG-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.30
Rot. Bonds7

About N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide

N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide (PubChem CID 110382737) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
PubChem CID110382737
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cccn(OCc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-3-16-9-11-18(12-10-16)23-21(25)20-8-5-13-24(22(20)26)28-15-17-6-4-7-19(14-17)27-2/h4-14H,3,15H2,1-2H3,(H,23,25)
InChIKeyNBEMPVRETJELMG-UHFFFAOYSA-N
XLogP3.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide (CID 110382737) is N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide is CCc1ccc(NC(=O)c2cccn(OCc3cccc(OC)c3)c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide?
The InChIKey is NBEMPVRETJELMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-3-16-9-11-18(12-10-16)23-21(25)20-8-5-13-24(22(20)26)28-15-17-6-4-7-19(14-17)27-2/h4-14H,3,15H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide?
N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110382737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).