6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

C14H13N7O — CID 12811097

IUPAC6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2nn[nH]n2)nc(-c2cccc(N)c2)c1
InChIInChI=1S/C14H13N7O/c1-8-5-11(9-3-2-4-10(15)7-9)16-12(6-8)13(22)17-14-18-20-21-19-14/h2-7H,15H2,1H3,(H2,17,18,19,20,21,22)
InChIKeyWYRMKSLDPZQCSX-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.40
Rot. Bonds3

About 6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 12811097) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID12811097
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2nn[nH]n2)nc(-c2cccc(N)c2)c1
InChIInChI=1S/C14H13N7O/c1-8-5-11(9-3-2-4-10(15)7-9)16-12(6-8)13(22)17-14-18-20-21-19-14/h2-7H,15H2,1H3,(H2,17,18,19,20,21,22)
InChIKeyWYRMKSLDPZQCSX-UHFFFAOYSA-N
XLogP1.40
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.40
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)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 12811097) is 6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is Cc1cc(C(=O)Nc2nn[nH]n2)nc(-c2cccc(N)c2)c1.
What is the InChIKey of 6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is WYRMKSLDPZQCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-8-5-11(9-3-2-4-10(15)7-9)16-12(6-8)13(22)17-14-18-20-21-19-14/h2-7H,15H2,1H3,(H2,17,18,19,20,21,22).
What are the key properties of 6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 12811097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).