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

C25H23N5O3 — CID 44625137

IUPACN-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(COc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1
InChIInChI=1S/C25H23N5O3/c1-16(31)26-20-11-5-17(6-12-20)15-33-21-13-9-18(10-14-21)22-3-2-4-23-27-25(29-30(22)23)28-24(32)19-7-8-19/h2-6,9-14,19H,7-8,15H2,1H3,(H,26,31)(H,28,29,32)
InChIKeyBKTACTZHIJUASS-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.28
Rot. Bonds7

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

N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625137) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625137
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(COc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1
InChIInChI=1S/C25H23N5O3/c1-16(31)26-20-11-5-17(6-12-20)15-33-21-13-9-18(10-14-21)22-3-2-4-23-27-25(29-30(22)23)28-24(32)19-7-8-19/h2-6,9-14,19H,7-8,15H2,1H3,(H,26,31)(H,28,29,32)
InChIKeyBKTACTZHIJUASS-UHFFFAOYSA-N
XLogP4.28
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 726942
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CID 118731294
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CID 118731296
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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625137) is N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC(=O)Nc1ccc(COc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1.
What is the InChIKey of N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is BKTACTZHIJUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-16(31)26-20-11-5-17(6-12-20)15-33-21-13-9-18(10-14-21)22-3-2-4-23-27-25(29-30(22)23)28-24(32)19-7-8-19/h2-6,9-14,19H,7-8,15H2,1H3,(H,26,31)(H,28,29,32).
What are the key properties of N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(4-acetamidophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).