4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane

C27H29N5O3 — CID 143929645

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane
SMILESCC.O=C(NCCOc1ccccc1)c1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1
InChIInChI=1S/C25H23N5O3.C2H6/c31-23(26-14-16-33-20-5-2-1-3-6-20)18-10-8-17(9-11-18)21-7-4-15-30-22(21)27-25(29-30)28-24(32)19-12-13-19;1-2/h1-11,15,19H,12-14,16H2,(H,26,31)(H,28,29,32);1-2H3
InChIKeyQGXLHOASXVRUBM-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.58
Rot. Bonds8

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane (PubChem CID 143929645) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane
PubChem CID143929645
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane
SMILESCC.O=C(NCCOc1ccccc1)c1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1
InChIInChI=1S/C25H23N5O3.C2H6/c31-23(26-14-16-33-20-5-2-1-3-6-20)18-10-8-17(9-11-18)21-7-4-15-30-22(21)27-25(29-30)28-24(32)19-12-13-19;1-2/h1-11,15,19H,12-14,16H2,(H,26,31)(H,28,29,32);1-2H3
InChIKeyQGXLHOASXVRUBM-UHFFFAOYSA-N
XLogP4.58
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane (CID 143929645) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane is CC.O=C(NCCOc1ccccc1)c1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane?
The InChIKey is QGXLHOASXVRUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3.C2H6/c31-23(26-14-16-33-20-5-2-1-3-6-20)18-10-8-17(9-11-18)21-7-4-15-30-22(21)27-25(29-30)28-24(32)19-12-13-19;1-2/h1-11,15,19H,12-14,16H2,(H,26,31)(H,28,29,32);1-2H3.
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane has a molecular weight of 471.56 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane is sourced from PubChem (CID 143929645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).