2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone

C20H23N5O — CID 53190817

IUPAC2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCC(Nc2cccn3ncnc23)CC1
InChIInChI=1S/C20H23N5O/c1-15-5-2-3-6-16(15)13-19(26)24-11-8-17(9-12-24)23-18-7-4-10-25-20(18)21-14-22-25/h2-7,10,14,17,23H,8-9,11-13H2,1H3
InChIKeyCSRNNHWOAPSWFB-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone

2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone (PubChem CID 53190817) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone
PubChem CID53190817
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCC(Nc2cccn3ncnc23)CC1
InChIInChI=1S/C20H23N5O/c1-15-5-2-3-6-16(15)13-19(26)24-11-8-17(9-12-24)23-18-7-4-10-25-20(18)21-14-22-25/h2-7,10,14,17,23H,8-9,11-13H2,1H3
InChIKeyCSRNNHWOAPSWFB-UHFFFAOYSA-N
XLogP2.68
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone (CID 53190817) is 2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone is Cc1ccccc1CC(=O)N1CCC(Nc2cccn3ncnc23)CC1.
What is the InChIKey of 2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone?
The InChIKey is CSRNNHWOAPSWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-5-2-3-6-16(15)13-19(26)24-11-8-17(9-12-24)23-18-7-4-10-25-20(18)21-14-22-25/h2-7,10,14,17,23H,8-9,11-13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone?
2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone has a molecular weight of 349.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 53190817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).