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

C17H16N4O2 — CID 59589639

IUPACN-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCOc1cccc(-c2cccc3nc(NC(=O)C4CC4)nn23)c1
InChIInChI=1S/C17H16N4O2/c1-23-13-5-2-4-12(10-13)14-6-3-7-15-18-17(20-21(14)15)19-16(22)11-8-9-11/h2-7,10-11H,8-9H2,1H3,(H,19,20,22)
InChIKeyVMXSAFKPPAOYJT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.75
Rot. Bonds4

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

N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 59589639) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID59589639
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCOc1cccc(-c2cccc3nc(NC(=O)C4CC4)nn23)c1
InChIInChI=1S/C17H16N4O2/c1-23-13-5-2-4-12(10-13)14-6-3-7-15-18-17(20-21(14)15)19-16(22)11-8-9-11/h2-7,10-11H,8-9H2,1H3,(H,19,20,22)
InChIKeyVMXSAFKPPAOYJT-UHFFFAOYSA-N
XLogP2.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 59589639) is N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is COc1cccc(-c2cccc3nc(NC(=O)C4CC4)nn23)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is VMXSAFKPPAOYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-13-5-2-4-12(10-13)14-6-3-7-15-18-17(20-21(14)15)19-16(22)11-8-9-11/h2-7,10-11H,8-9H2,1H3,(H,19,20,22).
What are the key properties of N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59589639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).