6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

C13H9N7O3 — CID 20537499

IUPAC6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cccc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C13H9N7O3/c21-12(15-13-16-18-19-17-13)11-6-2-5-10(14-11)8-3-1-4-9(7-8)20(22)23/h1-7H,(H2,15,16,17,18,19,21)
InChIKeyLBFGYAMQHXMKQS-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.42
Rot. Bonds4

About 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 20537499) has the molecular formula C13H9N7O3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID20537499
Molecular FormulaC13H9N7O3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cccc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C13H9N7O3/c21-12(15-13-16-18-19-17-13)11-6-2-5-10(14-11)8-3-1-4-9(7-8)20(22)23/h1-7H,(H2,15,16,17,18,19,21)
InChIKeyLBFGYAMQHXMKQS-UHFFFAOYSA-N
XLogP1.42
TPSA139.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.42
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 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-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

4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784870
CID 70476554
CID 70476554
2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267886
2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 12962786
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
3-methyl-2-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267889
N-[4-(3-nitrophenyl)pyrimidin-2-yl]thiophene-2-carboxamide
CID 23134753
2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid
CID 170879603
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 112693194
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 5100620
CID 70545917
CID 70545917
ethyl 6-[(3-nitrophenyl)carbamoyl]pyridine-2-carboxylate
CID 3334727

Frequently Asked Questions

What is the IUPAC name of 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 20537499) is 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is O=C(Nc1nn[nH]n1)c1cccc(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is LBFGYAMQHXMKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7O3/c21-12(15-13-16-18-19-17-13)11-6-2-5-10(14-11)8-3-1-4-9(7-8)20(22)23/h1-7H,(H2,15,16,17,18,19,21).
What are the key properties of 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 311.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 20537499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).