N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C21H19ClN6O — CID 59199039

IUPACN-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESNCCNC(=O)c1ccc(Nc2nc3c(-c4cccc(Cl)c4)cccn3n2)cc1
InChIInChI=1S/C21H19ClN6O/c22-16-4-1-3-15(13-16)18-5-2-12-28-19(18)26-21(27-28)25-17-8-6-14(7-9-17)20(29)24-11-10-23/h1-9,12-13H,10-11,23H2,(H,24,29)(H,25,27)
InChIKeyUXEGCAOEDVRCSA-UHFFFAOYSA-N
MW406.88 g/mol
LogP3.48
Rot. Bonds6

About N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 59199039) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID59199039
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC NameN-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESNCCNC(=O)c1ccc(Nc2nc3c(-c4cccc(Cl)c4)cccn3n2)cc1
InChIInChI=1S/C21H19ClN6O/c22-16-4-1-3-15(13-16)18-5-2-12-28-19(18)26-21(27-28)25-17-8-6-14(7-9-17)20(29)24-11-10-23/h1-9,12-13H,10-11,23H2,(H,24,29)(H,25,27)
InChIKeyUXEGCAOEDVRCSA-UHFFFAOYSA-N
XLogP3.48
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide with MolForge

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Related Compounds

4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 44553802
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59198980
N-(2-amino-2-methylpropyl)-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199060
2-[[4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethylcarbamic acid
CID 159485043
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44554838
4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199040
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59199086
4-[[8-[3-(hydroxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199047
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide
CID 70943710
N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553298
N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553302
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 59199039) is N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is NCCNC(=O)c1ccc(Nc2nc3c(-c4cccc(Cl)c4)cccn3n2)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is UXEGCAOEDVRCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/c22-16-4-1-3-15(13-16)18-5-2-12-28-19(18)26-21(27-28)25-17-8-6-14(7-9-17)20(29)24-11-10-23/h1-9,12-13H,10-11,23H2,(H,24,29)(H,25,27).
What are the key properties of N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 406.88 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 59199039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).