6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

C15H12N6O — CID 13209522

IUPAC6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C15H12N6O/c22-14(17-15-18-20-21-19-15)13-8-4-7-12(16-13)10-9-11-5-2-1-3-6-11/h1-10H,(H2,17,18,19,20,21,22)/b10-9+
InChIKeyNEGNLAHRTSOUQU-MDZDMXLPSA-N
MW292.30 g/mol
LogP2.02
Rot. Bonds4

About 6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 13209522) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID13209522
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C15H12N6O/c22-14(17-15-18-20-21-19-15)13-8-4-7-12(16-13)10-9-11-5-2-1-3-6-11/h1-10H,(H2,17,18,19,20,21,22)/b10-9+
InChIKeyNEGNLAHRTSOUQU-MDZDMXLPSA-N
XLogP2.02
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 13209522) is 6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is O=C(Nc1nn[nH]n1)c1cccc(/C=C/c2ccccc2)n1.
What is the InChIKey of 6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is NEGNLAHRTSOUQU-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12N6O/c22-14(17-15-18-20-21-19-15)13-8-4-7-12(16-13)10-9-11-5-2-1-3-6-11/h1-10H,(H2,17,18,19,20,21,22)/b10-9+.
What are the key properties of 6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-phenylethenyl]-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 13209522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).