3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide

C26H18N4O3S — CID 3120416

IUPAC3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C26H18N4O3S/c27-23-22-20(16-8-3-1-4-9-16)15-21(17-10-5-2-6-11-17)29-26(22)34-24(23)25(31)28-18-12-7-13-19(14-18)30(32)33/h1-15H,27H2,(H,28,31)
InChIKeyTZZJVZPBUFFLBM-UHFFFAOYSA-N
MW466.52 g/mol
LogP6.37
Rot. Bonds5

About 3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3120416) has the molecular formula C26H18N4O3S and a molecular weight of 466.52 g/mol. Its IUPAC name is 3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID3120416
Molecular FormulaC26H18N4O3S
Molecular Weight466.52 g/mol
Exact Mass466.11
IUPAC Name3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C26H18N4O3S/c27-23-22-20(16-8-3-1-4-9-16)15-21(17-10-5-2-6-11-17)29-26(22)34-24(23)25(31)28-18-12-7-13-19(14-18)30(32)33/h1-15H,27H2,(H,28,31)
InChIKeyTZZJVZPBUFFLBM-UHFFFAOYSA-N
XLogP6.37
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344
3-amino-6-(difluoromethyl)-4-methyl-N-(3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19581270
3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1178305
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
1-(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-2-anilinoethanone
CID 163918979
3-amino-6-(4-methoxyphenyl)-N-phenyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 4086089
3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132355
3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133359
3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165582
3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23743028

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide (CID 3120416) is 3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of 3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is TZZJVZPBUFFLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O3S/c27-23-22-20(16-8-3-1-4-9-16)15-21(17-10-5-2-6-11-17)29-26(22)34-24(23)25(31)28-18-12-7-13-19(14-18)30(32)33/h1-15H,27H2,(H,28,31).
What are the key properties of 3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 6.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3120416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).