N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H18N6O3S — CID 44625140

IUPACN-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)nc3)n2n1)C1CC1
InChIInChI=1S/C21H18N6O3S/c28-20(14-9-10-14)24-21-23-19-8-4-7-17(27(19)25-21)15-11-12-18(22-13-15)26-31(29,30)16-5-2-1-3-6-16/h1-8,11-14H,9-10H2,(H,22,26)(H,24,25,28)
InChIKeyLODUHVIFQNUZAW-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.94
Rot. Bonds6

About N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625140) has the molecular formula C21H18N6O3S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625140
Molecular FormulaC21H18N6O3S
Molecular Weight434.48 g/mol
Exact Mass434.12
IUPAC NameN-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)nc3)n2n1)C1CC1
InChIInChI=1S/C21H18N6O3S/c28-20(14-9-10-14)24-21-23-19-8-4-7-17(27(19)25-21)15-11-12-18(22-13-15)26-31(29,30)16-5-2-1-3-6-16/h1-8,11-14H,9-10H2,(H,22,26)(H,24,25,28)
InChIKeyLODUHVIFQNUZAW-UHFFFAOYSA-N
XLogP2.94
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625140) is N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)nc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is LODUHVIFQNUZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3S/c28-20(14-9-10-14)24-21-23-19-8-4-7-17(27(19)25-21)15-11-12-18(22-13-15)26-31(29,30)16-5-2-1-3-6-16/h1-8,11-14H,9-10H2,(H,22,26)(H,24,25,28).
What are the key properties of N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 434.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(benzenesulfonamido)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).