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

C16H16N6O — CID 42597707

IUPACN-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(NCc3ccccn3)n2n1)C1CC1
InChIInChI=1S/C16H16N6O/c23-15(11-7-8-11)20-16-19-14-6-3-5-13(22(14)21-16)18-10-12-4-1-2-9-17-12/h1-6,9,11,18H,7-8,10H2,(H,20,21,23)
InChIKeyQNQUPXHYLRIKBJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.08
Rot. Bonds5

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

N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 42597707) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID42597707
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC NameN-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(NCc3ccccn3)n2n1)C1CC1
InChIInChI=1S/C16H16N6O/c23-15(11-7-8-11)20-16-19-14-6-3-5-13(22(14)21-16)18-10-12-4-1-2-9-17-12/h1-6,9,11,18H,7-8,10H2,(H,20,21,23)
InChIKeyQNQUPXHYLRIKBJ-UHFFFAOYSA-N
XLogP2.08
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44625211
N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374720
N-(5-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 139387363
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide
CID 112982951
N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohexyl]-1-fluorocyclopropane-1-carboxamide
CID 139387335
N-[5-[4-(ethoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44622130
N-[5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 91090467
3-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]benzoic acid
CID 70929702
N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 54771546

Frequently Asked Questions

What is the IUPAC name of N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 42597707) is N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(NCc3ccccn3)n2n1)C1CC1.
What is the InChIKey of N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is QNQUPXHYLRIKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-15(11-7-8-11)20-16-19-14-6-3-5-13(22(14)21-16)18-10-12-4-1-2-9-17-12/h1-6,9,11,18H,7-8,10H2,(H,20,21,23).
What are the key properties of N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyridin-2-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42597707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).