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

C10H12N6O — CID 13209531

IUPAC6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCCCc1cccc(C(=O)Nc2nn[nH]n2)n1
InChIInChI=1S/C10H12N6O/c1-2-4-7-5-3-6-8(11-7)9(17)12-10-13-15-16-14-10/h3,5-6H,2,4H2,1H3,(H2,12,13,14,15,16,17)
InChIKeyBSWOGWCBFXFEOO-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.80
Rot. Bonds4

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

6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 13209531) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID13209531
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCCCc1cccc(C(=O)Nc2nn[nH]n2)n1
InChIInChI=1S/C10H12N6O/c1-2-4-7-5-3-6-8(11-7)9(17)12-10-13-15-16-14-10/h3,5-6H,2,4H2,1H3,(H2,12,13,14,15,16,17)
InChIKeyBSWOGWCBFXFEOO-UHFFFAOYSA-N
XLogP0.80
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 13209531) is 6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is CCCc1cccc(C(=O)Nc2nn[nH]n2)n1.
What is the InChIKey of 6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is BSWOGWCBFXFEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-2-4-7-5-3-6-8(11-7)9(17)12-10-13-15-16-14-10/h3,5-6H,2,4H2,1H3,(H2,12,13,14,15,16,17).
What are the key properties of 6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 232.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 13209531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).