N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C17H19N5O — CID 84614507

IUPACN-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESNCCNC(=O)c1cccn2c(CCc3ccccc3)nnc12
InChIInChI=1S/C17H19N5O/c18-10-11-19-17(23)14-7-4-12-22-15(20-21-16(14)22)9-8-13-5-2-1-3-6-13/h1-7,12H,8-11,18H2,(H,19,23)
InChIKeyGEGCSRKADCBYGT-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.20
Rot. Bonds6

About N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 84614507) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID84614507
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESNCCNC(=O)c1cccn2c(CCc3ccccc3)nnc12
InChIInChI=1S/C17H19N5O/c18-10-11-19-17(23)14-7-4-12-22-15(20-21-16(14)22)9-8-13-5-2-1-3-6-13/h1-7,12H,8-11,18H2,(H,19,23)
InChIKeyGEGCSRKADCBYGT-UHFFFAOYSA-N
XLogP1.20
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147696
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147796
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
N-(2-aminoethyl)-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
CID 162763934
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367480
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 50812845
3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367491

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 84614507) is N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is NCCNC(=O)c1cccn2c(CCc3ccccc3)nnc12.
What is the InChIKey of N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is GEGCSRKADCBYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-10-11-19-17(23)14-7-4-12-22-15(20-21-16(14)22)9-8-13-5-2-1-3-6-13/h1-7,12H,8-11,18H2,(H,19,23).
What are the key properties of N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 84614507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).