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

C18H21N7O — CID 67293245

IUPAC4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc3cccc(NC4CCCNC4)n3n2)cc1
InChIInChI=1S/C18H21N7O/c19-17(26)12-6-8-13(9-7-12)22-18-23-16-5-1-4-15(25(16)24-18)21-14-3-2-10-20-11-14/h1,4-9,14,20-21H,2-3,10-11H2,(H2,19,26)(H,22,24)
InChIKeyZWJZSKSGAFDFJV-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.74
Rot. Bonds5

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

4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 67293245) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID67293245
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc3cccc(NC4CCCNC4)n3n2)cc1
InChIInChI=1S/C18H21N7O/c19-17(26)12-6-8-13(9-7-12)22-18-23-16-5-1-4-15(25(16)24-18)21-14-3-2-10-20-11-14/h1,4-9,14,20-21H,2-3,10-11H2,(H2,19,26)(H,22,24)
InChIKeyZWJZSKSGAFDFJV-UHFFFAOYSA-N
XLogP1.74
TPSA109.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3,3-dimethyl-6-[[5-[[(3S)-piperidin-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one;dihydrochloride
CID 121282042
4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59276580
ethyl 3-[[5-[(4-hydroxycyclohexyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
CID 67294184
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
4-[[2-(1H-indol-5-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexan-1-ol
CID 59276406
4-amino-2-(4-carbamoylanilino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107364
trans-(1S,3S)-3-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclopentan-1-ol
CID 67294213
[(1S,2S)-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]methanol
CID 71179695
[(1S,2R)-2-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]methanol
CID 67293945
4-(3-methylanilino)-2-[[(3S)-piperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 56671791
4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 59186171
4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44624361

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of 4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 67293245) is 4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2nc3cccc(NC4CCCNC4)n3n2)cc1.
What is the InChIKey of 4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is ZWJZSKSGAFDFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c19-17(26)12-6-8-13(9-7-12)22-18-23-16-5-1-4-15(25(16)24-18)21-14-3-2-10-20-11-14/h1,4-9,14,20-21H,2-3,10-11H2,(H2,19,26)(H,22,24).
What are the key properties of 4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 351.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(piperidin-3-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 67293245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).