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

C17H14N4O3 — CID 42597468

IUPACN-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc4c(c3)OCO4)n2n1)C1CC1
InChIInChI=1S/C17H14N4O3/c22-16(10-4-5-10)19-17-18-15-3-1-2-12(21(15)20-17)11-6-7-13-14(8-11)24-9-23-13/h1-3,6-8,10H,4-5,9H2,(H,19,20,22)
InChIKeyPUGVKGRDWFZMOW-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.47
Rot. Bonds3

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

N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 42597468) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID42597468
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc4c(c3)OCO4)n2n1)C1CC1
InChIInChI=1S/C17H14N4O3/c22-16(10-4-5-10)19-17-18-15-3-1-2-12(21(15)20-17)11-6-7-13-14(8-11)24-9-23-13/h1-3,6-8,10H,4-5,9H2,(H,19,20,22)
InChIKeyPUGVKGRDWFZMOW-UHFFFAOYSA-N
XLogP2.47
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 42597468) is N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc4c(c3)OCO4)n2n1)C1CC1.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is PUGVKGRDWFZMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-16(10-4-5-10)19-17-18-15-3-1-2-12(21(15)20-17)11-6-7-13-14(8-11)24-9-23-13/h1-3,6-8,10H,4-5,9H2,(H,19,20,22).
What are the key properties of N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42597468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).