2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

C19H13N5O3S — CID 57401063

IUPAC2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccnc1Nc1ccccc1
InChIInChI=1S/C19H13N5O3S/c25-18(14-7-4-10-20-17(14)21-12-5-2-1-3-6-12)23-19-22-15-9-8-13(24(26)27)11-16(15)28-19/h1-11H,(H,20,21)(H,22,23,25)
InChIKeyIGRRXZZSQGSYFW-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.60
Rot. Bonds5

About 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 57401063) has the molecular formula C19H13N5O3S and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID57401063
Molecular FormulaC19H13N5O3S
Molecular Weight391.41 g/mol
Exact Mass391.07
IUPAC Name2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccnc1Nc1ccccc1
InChIInChI=1S/C19H13N5O3S/c25-18(14-7-4-10-20-17(14)21-12-5-2-1-3-6-12)23-19-22-15-9-8-13(24(26)27)11-16(15)28-19/h1-11H,(H,20,21)(H,22,23,25)
InChIKeyIGRRXZZSQGSYFW-UHFFFAOYSA-N
XLogP4.60
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 90155396
N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 958632
N-(6-nitro-1,3-benzothiazol-2-yl)isonicotinamide
CID 731722
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
6-[(1,3-Benzothiazol-6-Yl)amino]-4-{[(2s)-1-Hydroxy-3-Phenylpropan-2-Yl]amino}-N-Methylpyridine-3-Carboxamide
CID 131704459
6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 156013713
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2486876
2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 5048792
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide
CID 1258198
N3-(6-nitro-1,3-benzothiazol-2-yl)-2-[(3,4,5-trifluorophenyl)amino]-3-pyridine carboxamide
CID 54765287
N3-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)nicotinamide
CID 57394067
N3-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-fluoroanilino)nicotinamide
CID 57394068

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 57401063) is 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccnc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is IGRRXZZSQGSYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3S/c25-18(14-7-4-10-20-17(14)21-12-5-2-1-3-6-12)23-19-22-15-9-8-13(24(26)27)11-16(15)28-19/h1-11H,(H,20,21)(H,22,23,25).
What are the key properties of 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 57401063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).