N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide

C20H18N6O — CID 24798665

IUPACN-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide
SMILESNc1ccccc1-c1cccc2nc(NC(=O)CCc3cccnc3)nn12
InChIInChI=1S/C20H18N6O/c21-16-7-2-1-6-15(16)17-8-3-9-18-23-20(25-26(17)18)24-19(27)11-10-14-5-4-12-22-13-14/h1-9,12-13H,10-11,21H2,(H,24,25,27)
InChIKeyLBOIOOMUZAGXLR-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.94
Rot. Bonds5

About N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide

N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide (PubChem CID 24798665) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide
PubChem CID24798665
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide
SMILESNc1ccccc1-c1cccc2nc(NC(=O)CCc3cccnc3)nn12
InChIInChI=1S/C20H18N6O/c21-16-7-2-1-6-15(16)17-8-3-9-18-23-20(25-26(17)18)24-19(27)11-10-14-5-4-12-22-13-14/h1-9,12-13H,10-11,21H2,(H,24,25,27)
InChIKeyLBOIOOMUZAGXLR-UHFFFAOYSA-N
XLogP2.94
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90107603
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 44626155
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 24543238
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
CID 60895368
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
N-(2,3-dichlorophenyl)-3-pyridin-3-ylpropanamide
CID 112519927
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridin-3-ylpropanamide
CID 25349353
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
N-(2-cyanophenyl)-3-pyridin-3-ylpropanamide
CID 110864606

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide (CID 24798665) is N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide is Nc1ccccc1-c1cccc2nc(NC(=O)CCc3cccnc3)nn12.
What is the InChIKey of N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is LBOIOOMUZAGXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-16-7-2-1-6-15(16)17-8-3-9-18-23-20(25-26(17)18)24-19(27)11-10-14-5-4-12-22-13-14/h1-9,12-13H,10-11,21H2,(H,24,25,27).
What are the key properties of N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide?
N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 358.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 24798665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).