4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide

C26H28N6O2 — CID 59198981

IUPAC4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
SMILESCOc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCC5CCNCC5)cc4)nc23)cc1
InChIInChI=1S/C26H28N6O2/c1-34-22-10-6-19(7-11-22)23-3-2-16-32-24(23)30-26(31-32)29-21-8-4-20(5-9-21)25(33)28-17-18-12-14-27-15-13-18/h2-11,16,18,27H,12-15,17H2,1H3,(H,28,33)(H,29,31)
InChIKeyMKUDJHMMRZGUJI-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.88
Rot. Bonds7

About 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide

4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 59198981) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
PubChem CID59198981
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
SMILESCOc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCC5CCNCC5)cc4)nc23)cc1
InChIInChI=1S/C26H28N6O2/c1-34-22-10-6-19(7-11-22)23-3-2-16-32-24(23)30-26(31-32)29-21-8-4-20(5-9-21)25(33)28-17-18-12-14-27-15-13-18/h2-11,16,18,27H,12-15,17H2,1H3,(H,28,33)(H,29,31)
InChIKeyMKUDJHMMRZGUJI-UHFFFAOYSA-N
XLogP3.88
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide (CID 59198981) is 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide is COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCC5CCNCC5)cc4)nc23)cc1.
What is the InChIKey of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is MKUDJHMMRZGUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-34-22-10-6-19(7-11-22)23-3-2-16-32-24(23)30-26(31-32)29-21-8-4-20(5-9-21)25(33)28-17-18-12-14-27-15-13-18/h2-11,16,18,27H,12-15,17H2,1H3,(H,28,33)(H,29,31).
What are the key properties of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide?
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 456.55 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 59198981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).