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

C11H14N6O — CID 13209534

IUPAC6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCCCCc1cccc(C(=O)Nc2nn[nH]n2)n1
InChIInChI=1S/C11H14N6O/c1-2-3-5-8-6-4-7-9(12-8)10(18)13-11-14-16-17-15-11/h4,6-7H,2-3,5H2,1H3,(H2,13,14,15,16,17,18)
InChIKeyCRMNLACTCGYCQO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.19
Rot. Bonds5

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

6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 13209534) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID13209534
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCCCCc1cccc(C(=O)Nc2nn[nH]n2)n1
InChIInChI=1S/C11H14N6O/c1-2-3-5-8-6-4-7-9(12-8)10(18)13-11-14-16-17-15-11/h4,6-7H,2-3,5H2,1H3,(H2,13,14,15,16,17,18)
InChIKeyCRMNLACTCGYCQO-UHFFFAOYSA-N
XLogP1.19
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 13209534) is 6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is CCCCc1cccc(C(=O)Nc2nn[nH]n2)n1.
What is the InChIKey of 6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is CRMNLACTCGYCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-3-5-8-6-4-7-9(12-8)10(18)13-11-14-16-17-15-11/h4,6-7H,2-3,5H2,1H3,(H2,13,14,15,16,17,18).
What are the key properties of 6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 13209534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).