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

C13H11N7O — CID 12811093

IUPAC6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESNc1cccc(-c2cccc(C(=O)Nc3nn[nH]n3)n2)c1
InChIInChI=1S/C13H11N7O/c14-9-4-1-3-8(7-9)10-5-2-6-11(15-10)12(21)16-13-17-19-20-18-13/h1-7H,14H2,(H2,16,17,18,19,20,21)
InChIKeyODTGFTVYGDRVQD-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.10
Rot. Bonds3

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

6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 12811093) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID12811093
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESNc1cccc(-c2cccc(C(=O)Nc3nn[nH]n3)n2)c1
InChIInChI=1S/C13H11N7O/c14-9-4-1-3-8(7-9)10-5-2-6-11(15-10)12(21)16-13-17-19-20-18-13/h1-7H,14H2,(H2,16,17,18,19,20,21)
InChIKeyODTGFTVYGDRVQD-UHFFFAOYSA-N
XLogP1.10
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 12811093) is 6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is Nc1cccc(-c2cccc(C(=O)Nc3nn[nH]n3)n2)c1.
What is the InChIKey of 6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is ODTGFTVYGDRVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c14-9-4-1-3-8(7-9)10-5-2-6-11(15-10)12(21)16-13-17-19-20-18-13/h1-7H,14H2,(H2,16,17,18,19,20,21).
What are the key properties of 6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 12811093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).