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

C26H27N5O — CID 44553302

IUPACN-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCCCC5)cc4)nc23)c1
InChIInChI=1S/C26H27N5O/c1-18-7-5-8-20(17-18)23-11-6-16-31-24(23)29-26(30-31)28-22-14-12-19(13-15-22)25(32)27-21-9-3-2-4-10-21/h5-8,11-17,21H,2-4,9-10H2,1H3,(H,27,32)(H,28,30)
InChIKeyJVAIMXOVEUOSQI-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.51
Rot. Bonds5

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

N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 44553302) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID44553302
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCCCC5)cc4)nc23)c1
InChIInChI=1S/C26H27N5O/c1-18-7-5-8-20(17-18)23-11-6-16-31-24(23)29-26(30-31)28-22-14-12-19(13-15-22)25(32)27-21-9-3-2-4-10-21/h5-8,11-17,21H,2-4,9-10H2,1H3,(H,27,32)(H,28,30)
InChIKeyJVAIMXOVEUOSQI-UHFFFAOYSA-N
XLogP5.51
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44554838
N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929643
ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane
CID 143916044
N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929446
N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 161391418
N-cyclopropyl-4-[[8-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929692
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157294464
N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929524
N-cyclopropyl-4-[[8-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929537
N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776980
1-[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 59198950
N-(2-aminoethyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199039

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 44553302) is N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is Cc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCCCC5)cc4)nc23)c1.
What is the InChIKey of N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is JVAIMXOVEUOSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-18-7-5-8-20(17-18)23-11-6-16-31-24(23)29-26(30-31)28-22-14-12-19(13-15-22)25(32)27-21-9-3-2-4-10-21/h5-8,11-17,21H,2-4,9-10H2,1H3,(H,27,32)(H,28,30).
What are the key properties of N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 425.54 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 44553302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).