1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide

C21H19ClN2O3 — CID 7599059

IUPAC1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C21H19ClN2O3/c1-2-27-19-11-4-3-10-18(19)23-20(25)17-9-6-12-24(21(17)26)14-15-7-5-8-16(22)13-15/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyCYFSREMKJDRTDW-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.20
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 7599059) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide
PubChem CID7599059
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C21H19ClN2O3/c1-2-27-19-11-4-3-10-18(19)23-20(25)17-9-6-12-24(21(17)26)14-15-7-5-8-16(22)13-15/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyCYFSREMKJDRTDW-UHFFFAOYSA-N
XLogP4.20
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide (CID 7599059) is 1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is CYFSREMKJDRTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-2-27-19-11-4-3-10-18(19)23-20(25)17-9-6-12-24(21(17)26)14-15-7-5-8-16(22)13-15/h3-13H,2,14H2,1H3,(H,23,25).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).