2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide

C20H14N2OS — CID 117090009

IUPAC2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnc(-c2csc3ccccc23)c1
InChIInChI=1S/C20H14N2OS/c23-20(22-15-6-2-1-3-7-15)14-10-11-21-18(12-14)17-13-24-19-9-5-4-8-16(17)19/h1-13H,(H,22,23)
InChIKeyNPSCPSQUJDMWGC-UHFFFAOYSA-N
MW330.41 g/mol
LogP5.22
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide

2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide (PubChem CID 117090009) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide
PubChem CID117090009
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC Name2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ccnc(-c2csc3ccccc23)c1
InChIInChI=1S/C20H14N2OS/c23-20(22-15-6-2-1-3-7-15)14-10-11-21-18(12-14)17-13-24-19-9-5-4-8-16(17)19/h1-13H,(H,22,23)
InChIKeyNPSCPSQUJDMWGC-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
CID 102503336
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene
CID 23320864
2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380
1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide
CID 126639013
N-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyridine-4-carboxamide
CID 10193154
2-(1-methylindol-5-yl)-N-phenylpyridine-4-carboxamide
CID 117089782
N-phenyl-2,1,3-benzothiadiazole-5-carboxamide
CID 684852
2-N-(2-ethylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090820
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3107678
molecular hydrogen;N-phenylbenzamide
CID 145238042

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide (CID 117090009) is 2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide is O=C(Nc1ccccc1)c1ccnc(-c2csc3ccccc23)c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide?
The InChIKey is NPSCPSQUJDMWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2OS/c23-20(22-15-6-2-1-3-7-15)14-10-11-21-18(12-14)17-13-24-19-9-5-4-8-16(17)19/h1-13H,(H,22,23).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide?
2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 117090009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).