6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

C14H13N7O — CID 12811080

IUPAC6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCNc1ccc(-c2cccc(C(=O)Nc3nn[nH]n3)n2)cc1
InChIInChI=1S/C14H13N7O/c1-15-10-7-5-9(6-8-10)11-3-2-4-12(16-11)13(22)17-14-18-20-21-19-14/h2-8,15H,1H3,(H2,17,18,19,20,21,22)
InChIKeyOGPWRZRZAFAWGJ-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.56
Rot. Bonds4

About 6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 12811080) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID12811080
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCNc1ccc(-c2cccc(C(=O)Nc3nn[nH]n3)n2)cc1
InChIInChI=1S/C14H13N7O/c1-15-10-7-5-9(6-8-10)11-3-2-4-12(16-11)13(22)17-14-18-20-21-19-14/h2-8,15H,1H3,(H2,17,18,19,20,21,22)
InChIKeyOGPWRZRZAFAWGJ-UHFFFAOYSA-N
XLogP1.56
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 12811080) is 6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is CNc1ccc(-c2cccc(C(=O)Nc3nn[nH]n3)n2)cc1.
What is the InChIKey of 6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is OGPWRZRZAFAWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-15-10-7-5-9(6-8-10)11-3-2-4-12(16-11)13(22)17-14-18-20-21-19-14/h2-8,15H,1H3,(H2,17,18,19,20,21,22).
What are the key properties of 6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylamino)phenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 12811080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).