1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C22H23ClN2O3S — CID 42539683

IUPAC1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCOCc1c(C(=O)NCc2cccs2)c(=O)cc(C)n1CCc1ccccc1Cl
InChIInChI=1S/C22H23ClN2O3S/c1-15-12-20(26)21(22(27)24-13-17-7-5-11-29-17)19(14-28-2)25(15)10-9-16-6-3-4-8-18(16)23/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,27)
InChIKeyRQZNIOSIWXQRBI-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.19
Rot. Bonds8

About 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 42539683) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID42539683
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCOCc1c(C(=O)NCc2cccs2)c(=O)cc(C)n1CCc1ccccc1Cl
InChIInChI=1S/C22H23ClN2O3S/c1-15-12-20(26)21(22(27)24-13-17-7-5-11-29-17)19(14-28-2)25(15)10-9-16-6-3-4-8-18(16)23/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,27)
InChIKeyRQZNIOSIWXQRBI-UHFFFAOYSA-N
XLogP4.19
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 42539683) is 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is COCc1c(C(=O)NCc2cccs2)c(=O)cc(C)n1CCc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is RQZNIOSIWXQRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-15-12-20(26)21(22(27)24-13-17-7-5-11-29-17)19(14-28-2)25(15)10-9-16-6-3-4-8-18(16)23/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,24,27).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 430.96 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42539683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).