N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H21N5O2 — CID 58374791

IUPACN-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(COc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cn1
InChIInChI=1S/C23H21N5O2/c1-15-5-6-16(13-24-15)14-30-19-11-9-17(10-12-19)20-3-2-4-21-25-23(27-28(20)21)26-22(29)18-7-8-18/h2-6,9-13,18H,7-8,14H2,1H3,(H,26,27,29)
InChIKeyQXTFTEFHSLLIEL-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.03
Rot. Bonds6

About N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374791) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374791
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(COc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cn1
InChIInChI=1S/C23H21N5O2/c1-15-5-6-16(13-24-15)14-30-19-11-9-17(10-12-19)20-3-2-4-21-25-23(27-28(20)21)26-22(29)18-7-8-18/h2-6,9-13,18H,7-8,14H2,1H3,(H,26,27,29)
InChIKeyQXTFTEFHSLLIEL-UHFFFAOYSA-N
XLogP4.03
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 23648676
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CID 59199121
CID 59199121
CID 134179263
CID 134179263
CID 134179384
CID 134179384
CID 135284803
CID 135284803
CID 5329459
CID 5329459
CID 50997746
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CID 122432650
CID 122432650

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374791) is N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1ccc(COc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cn1.
What is the InChIKey of N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is QXTFTEFHSLLIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-5-6-16(13-24-15)14-30-19-11-9-17(10-12-19)20-3-2-4-21-25-23(27-28(20)21)26-22(29)18-7-8-18/h2-6,9-13,18H,7-8,14H2,1H3,(H,26,27,29).
What are the key properties of N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).