N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C20H22N4O2 — CID 91546939

IUPACN-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCC(C)Oc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1
InChIInChI=1S/C20H22N4O2/c1-3-13(2)26-16-10-8-14(9-11-16)17-5-4-12-24-18(17)21-20(23-24)22-19(25)15-6-7-15/h4-5,8-13,15H,3,6-7H2,1-2H3,(H,22,23,25)
InChIKeyPDMLRZAUVXVQSM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.92
Rot. Bonds6

About N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 91546939) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID91546939
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCC(C)Oc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1
InChIInChI=1S/C20H22N4O2/c1-3-13(2)26-16-10-8-14(9-11-16)17-5-4-12-24-18(17)21-20(23-24)22-19(25)15-6-7-15/h4-5,8-13,15H,3,6-7H2,1-2H3,(H,22,23,25)
InChIKeyPDMLRZAUVXVQSM-UHFFFAOYSA-N
XLogP3.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929330
[[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol
CID 91368001
N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 91393803
N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 86656206
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane
CID 143929645
N-[5-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589894
N-[8-[3,5-difluoro-4-[[3-(methylaminoperoxy)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 134216835
N-[8-(2-benzyl-1-oxo-3H-isoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44624529
N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44624255
N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide
CID 138702511
(cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol
CID 91466080
ethane;N-[8-[(3Z,5E)-5-formylhepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 143929581

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 91546939) is N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CCC(C)Oc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1.
What is the InChIKey of N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is PDMLRZAUVXVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-13(2)26-16-10-8-14(9-11-16)17-5-4-12-24-18(17)21-20(23-24)22-19(25)15-6-7-15/h4-5,8-13,15H,3,6-7H2,1-2H3,(H,22,23,25).
What are the key properties of N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91546939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).