N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide

C23H19ClN2O2S — CID 112837119

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESO=C(NCCc1csc2ccccc12)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C23H19ClN2O2S/c24-20-7-3-1-5-16(20)13-26-14-17(9-10-22(26)27)23(28)25-12-11-18-15-29-21-8-4-2-6-19(18)21/h1-10,14-15H,11-13H2,(H,25,28)
InChIKeyXPEMCPKHXJYDOD-UHFFFAOYSA-N
MW422.94 g/mol
LogP4.74
Rot. Bonds6

About N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide

N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 112837119) has the molecular formula C23H19ClN2O2S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID112837119
Molecular FormulaC23H19ClN2O2S
Molecular Weight422.94 g/mol
Exact Mass422.09
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESO=C(NCCc1csc2ccccc12)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C23H19ClN2O2S/c24-20-7-3-1-5-16(20)13-26-14-17(9-10-22(26)27)23(28)25-12-11-18-15-29-21-8-4-2-6-19(18)21/h1-10,14-15H,11-13H2,(H,25,28)
InChIKeyXPEMCPKHXJYDOD-UHFFFAOYSA-N
XLogP4.74
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2-chlorophenyl)methyl]-6-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 18128601
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
CID 167967928
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 16573885
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569
N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 86885243
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea
CID 112838134
N-[2-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062519

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 112837119) is N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide is O=C(NCCc1csc2ccccc12)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is XPEMCPKHXJYDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2S/c24-20-7-3-1-5-16(20)13-26-14-17(9-10-22(26)27)23(28)25-12-11-18-15-29-21-8-4-2-6-19(18)21/h1-10,14-15H,11-13H2,(H,25,28).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 112837119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).