N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide

C14H12N6OS — CID 51078036

IUPACN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C14H12N6OS/c1-22-14-17-18-19-20(14)12-4-2-3-11(9-12)16-13(21)10-5-7-15-8-6-10/h2-9H,1H3,(H,16,21)
InChIKeyXXKKAPLOQJGVLL-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.03
Rot. Bonds4

About N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 51078036) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID51078036
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C14H12N6OS/c1-22-14-17-18-19-20(14)12-4-2-3-11(9-12)16-13(21)10-5-7-15-8-6-10/h2-9H,1H3,(H,16,21)
InChIKeyXXKKAPLOQJGVLL-UHFFFAOYSA-N
XLogP2.03
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55870096
4-bromo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-nitrobenzamide
CID 39127432
4-fluoro-2-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55966320
5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39126999
N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 56509027
1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78860229
6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide
CID 56510585
2-butyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 38680986
1-(3-methoxyphenyl)-5-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 55670673

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 51078036) is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide is CSc1nnnn1-c1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is XXKKAPLOQJGVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c1-22-14-17-18-19-20(14)12-4-2-3-11(9-12)16-13(21)10-5-7-15-8-6-10/h2-9H,1H3,(H,16,21).
What are the key properties of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide?
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 51078036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).