7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide

C21H16N4O2S — CID 76852981

IUPAC7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(-c3cccc(NC(=O)c4ccccc4)c3)cnc(N)c2s1
InChIInChI=1S/C21H16N4O2S/c22-19-18-15(10-17(28-18)20(23)26)16(11-24-19)13-7-4-8-14(9-13)25-21(27)12-5-2-1-3-6-12/h1-11H,(H2,22,24)(H2,23,26)(H,25,27)
InChIKeyNGAHGZBYHPUYOM-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.90
Rot. Bonds4

About 7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide

7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 76852981) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is 7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID76852981
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(-c3cccc(NC(=O)c4ccccc4)c3)cnc(N)c2s1
InChIInChI=1S/C21H16N4O2S/c22-19-18-15(10-17(28-18)20(23)26)16(11-24-19)13-7-4-8-14(9-13)25-21(27)12-5-2-1-3-6-12/h1-11H,(H2,22,24)(H2,23,26)(H,25,27)
InChIKeyNGAHGZBYHPUYOM-UHFFFAOYSA-N
XLogP3.90
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
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N-(3-isoquinolin-4-ylphenyl)-5-phenylpyridine-3-carboxamide
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3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392143
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[3-[2-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 22994130
3-[[4-(2-phenylethynyl)benzoyl]amino]benzamide
CID 22110606

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide (CID 76852981) is 7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(-c3cccc(NC(=O)c4ccccc4)c3)cnc(N)c2s1.
What is the InChIKey of 7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is NGAHGZBYHPUYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c22-19-18-15(10-17(28-18)20(23)26)16(11-24-19)13-7-4-8-14(9-13)25-21(27)12-5-2-1-3-6-12/h1-11H,(H2,22,24)(H2,23,26)(H,25,27).
What are the key properties of 7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide?
7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(3-benzamidophenyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 76852981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).