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

C20H17N5O — CID 44554838

IUPAC4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1
InChIInChI=1S/C20H17N5O/c1-13-4-2-5-15(12-13)17-6-3-11-25-19(17)23-20(24-25)22-16-9-7-14(8-10-16)18(21)26/h2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeyABAJNBGYCNJMKD-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.55
Rot. Bonds4

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

4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 44554838) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID44554838
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1
InChIInChI=1S/C20H17N5O/c1-13-4-2-5-15(12-13)17-6-3-11-25-19(17)23-20(24-25)22-16-9-7-14(8-10-16)18(21)26/h2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeyABAJNBGYCNJMKD-UHFFFAOYSA-N
XLogP3.55
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59198980
N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553302
1-[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 59198950
N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916076
4-[[8-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91388480
4-[[8-[3-(hydroxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199047
N-(2-amino-2-methylpropyl)-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199060
N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199039
4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199040
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-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 44553802
4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
CID 59198952

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of 4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 44554838) is 4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is Cc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1.
What is the InChIKey of 4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is ABAJNBGYCNJMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-4-2-5-15(12-13)17-6-3-11-25-19(17)23-20(24-25)22-16-9-7-14(8-10-16)18(21)26/h2-12H,1H3,(H2,21,26)(H,22,24).
What are the key properties of 4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 44554838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).