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

C23H18N4O2 — CID 44625981

IUPACN-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(c1ccccc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C23H18N4O2/c28-21(16-5-2-1-3-6-16)17-11-9-15(10-12-17)19-7-4-8-20-24-23(26-27(19)20)25-22(29)18-13-14-18/h1-12,18H,13-14H2,(H,25,26,29)
InChIKeyXNPGKFHLMVGXBC-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.98
Rot. Bonds5

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

N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625981) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625981
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(c1ccccc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C23H18N4O2/c28-21(16-5-2-1-3-6-16)17-11-9-15(10-12-17)19-7-4-8-20-24-23(26-27(19)20)25-22(29)18-13-14-18/h1-12,18H,13-14H2,(H,25,26,29)
InChIKeyXNPGKFHLMVGXBC-UHFFFAOYSA-N
XLogP3.98
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625981) is N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(c1ccccc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.
What is the InChIKey of N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is XNPGKFHLMVGXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-21(16-5-2-1-3-6-16)17-11-9-15(10-12-17)19-7-4-8-20-24-23(26-27(19)20)25-22(29)18-13-14-18/h1-12,18H,13-14H2,(H,25,26,29).
What are the key properties of N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzoylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).