N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C19H21N5O — CID 91393803

IUPACN-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(C)Nc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1
InChIInChI=1S/C19H21N5O/c1-12(2)20-15-9-7-13(8-10-15)16-4-3-11-24-17(16)21-19(23-24)22-18(25)14-5-6-14/h3-4,7-12,14,20H,5-6H2,1-2H3,(H,22,23,25)
InChIKeyZTWGUCNHWJHZHA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.57
Rot. Bonds5

About N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 91393803) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID91393803
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(C)Nc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1
InChIInChI=1S/C19H21N5O/c1-12(2)20-15-9-7-13(8-10-15)16-4-3-11-24-17(16)21-19(23-24)22-18(25)14-5-6-14/h3-4,7-12,14,20H,5-6H2,1-2H3,(H,22,23,25)
InChIKeyZTWGUCNHWJHZHA-UHFFFAOYSA-N
XLogP3.57
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
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
N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 86656206
N-[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 91546939
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(2-phenoxyethyl)benzamide;ethane
CID 143929645
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-[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-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide
CID 138702511
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
CID 44623348
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
N-[4-[[8-[4-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide
CID 44623629
(3,3-difluoroazetidin-1-yl)-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanone
CID 70929439

Frequently Asked Questions

What is the IUPAC name of N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 91393803) is N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC(C)Nc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1.
What is the InChIKey of N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZTWGUCNHWJHZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12(2)20-15-9-7-13(8-10-15)16-4-3-11-24-17(16)21-19(23-24)22-18(25)14-5-6-14/h3-4,7-12,14,20H,5-6H2,1-2H3,(H,22,23,25).
What are the key properties of N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91393803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).