4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C17H17N5O3S — CID 27840808

IUPAC4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H17N5O3S/c23-17(18-11-16-20-19-15-3-1-2-10-22(15)16)12-4-8-14(9-5-12)26(24,25)21-13-6-7-13/h1-5,8-10,13,21H,6-7,11H2,(H,18,23)
InChIKeyRLKLCVCBWXZPKD-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.10
Rot. Bonds6

About 4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 27840808) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID27840808
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H17N5O3S/c23-17(18-11-16-20-19-15-3-1-2-10-22(15)16)12-4-8-14(9-5-12)26(24,25)21-13-6-7-13/h1-5,8-10,13,21H,6-7,11H2,(H,18,23)
InChIKeyRLKLCVCBWXZPKD-UHFFFAOYSA-N
XLogP1.10
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014382
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24654863
4-[methoxy(methyl)sulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9474164
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
4-tert-butyl-N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 17465781

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 27840808) is 4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnc2ccccn12)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is RLKLCVCBWXZPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c23-17(18-11-16-20-19-15-3-1-2-10-22(15)16)12-4-8-14(9-5-12)26(24,25)21-13-6-7-13/h1-5,8-10,13,21H,6-7,11H2,(H,18,23).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 371.42 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 27840808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).