2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide

C12H15ClN6O — CID 102562004

IUPAC2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1cc(C)nc(Cl)c1)c1nn[nH]n1
InChIInChI=1S/C12H15ClN6O/c1-3-4-9(11-16-18-19-17-11)15-12(20)8-5-7(2)14-10(13)6-8/h5-6,9H,3-4H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeySAZMXDCPSCSONL-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.83
Rot. Bonds5

About 2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide

2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide (PubChem CID 102562004) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
PubChem CID102562004
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1cc(C)nc(Cl)c1)c1nn[nH]n1
InChIInChI=1S/C12H15ClN6O/c1-3-4-9(11-16-18-19-17-11)15-12(20)8-5-7(2)14-10(13)6-8/h5-6,9H,3-4H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeySAZMXDCPSCSONL-UHFFFAOYSA-N
XLogP1.83
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide (CID 102562004) is 2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide is CCCC(NC(=O)c1cc(C)nc(Cl)c1)c1nn[nH]n1.
What is the InChIKey of 2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide?
The InChIKey is SAZMXDCPSCSONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-3-4-9(11-16-18-19-17-11)15-12(20)8-5-7(2)14-10(13)6-8/h5-6,9H,3-4H2,1-2H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide?
2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide has a molecular weight of 294.75 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide is sourced from PubChem (CID 102562004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).