N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C16H17N5O — CID 166306644

IUPACN-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESO=C(NCCCCc1ccncc1)c1ccn2cnnc2c1
InChIInChI=1S/C16H17N5O/c22-16(14-6-10-21-12-19-20-15(21)11-14)18-7-2-1-3-13-4-8-17-9-5-13/h4-6,8-12H,1-3,7H2,(H,18,22)
InChIKeySFQOJPCKKLLIJL-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.88
Rot. Bonds6

About N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 166306644) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID166306644
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESO=C(NCCCCc1ccncc1)c1ccn2cnnc2c1
InChIInChI=1S/C16H17N5O/c22-16(14-6-10-21-12-19-20-15(21)11-14)18-7-2-1-3-13-4-8-17-9-5-13/h4-6,8-12H,1-3,7H2,(H,18,22)
InChIKeySFQOJPCKKLLIJL-UHFFFAOYSA-N
XLogP1.88
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 74239187
N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-7-carboxamide
CID 112530202
3-methyl-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112530190
N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide
CID 84505391
N-(5-hydroxypentyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788521
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109173170
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
N-(2-aminoethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 172844439
5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
CID 109237075
N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
CID 175659813
N-pentylpyridine-4-carboxamide
CID 2307296
1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide
CID 71704832

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 166306644) is N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is O=C(NCCCCc1ccncc1)c1ccn2cnnc2c1.
What is the InChIKey of N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is SFQOJPCKKLLIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-16(14-6-10-21-12-19-20-15(21)11-14)18-7-2-1-3-13-4-8-17-9-5-13/h4-6,8-12H,1-3,7H2,(H,18,22).
What are the key properties of N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-4-ylbutyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 166306644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).