N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide

C16H16N6O3S — CID 154796060

IUPACN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide
SMILESCCc1nc(-c2ccccc2NC(=O)c2ccc(S(N)(=O)=O)nc2)n[nH]1
InChIInChI=1S/C16H16N6O3S/c1-2-13-20-15(22-21-13)11-5-3-4-6-12(11)19-16(23)10-7-8-14(18-9-10)26(17,24)25/h3-9H,2H2,1H3,(H,19,23)(H2,17,24,25)(H,20,21,22)
InChIKeySMRGYMPDUIEBNQ-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide

N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide (PubChem CID 154796060) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide
PubChem CID154796060
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide
SMILESCCc1nc(-c2ccccc2NC(=O)c2ccc(S(N)(=O)=O)nc2)n[nH]1
InChIInChI=1S/C16H16N6O3S/c1-2-13-20-15(22-21-13)11-5-3-4-6-12(11)19-16(23)10-7-8-14(18-9-10)26(17,24)25/h3-9H,2H2,1H3,(H,19,23)(H2,17,24,25)(H,20,21,22)
InChIKeySMRGYMPDUIEBNQ-UHFFFAOYSA-N
XLogP1.33
TPSA143.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate
CID 138989702
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methylsulfinylbenzamide
CID 138989499
4-(cyclopropylmethylsulfonyl)-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 146148764
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 167970718
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 138989490
2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 138989696
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide
CID 138989491
4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 86776880
4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 47068379
3-(2-bromophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61276916
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167791700
N-(2-ethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167285

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide?
The IUPAC name of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide (CID 154796060) is N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide is CCc1nc(-c2ccccc2NC(=O)c2ccc(S(N)(=O)=O)nc2)n[nH]1.
What is the InChIKey of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide?
The InChIKey is SMRGYMPDUIEBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-2-13-20-15(22-21-13)11-5-3-4-6-12(11)19-16(23)10-7-8-14(18-9-10)26(17,24)25/h3-9H,2H2,1H3,(H,19,23)(H2,17,24,25)(H,20,21,22).
What are the key properties of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide?
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide is sourced from PubChem (CID 154796060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).