2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide

C21H24N6O2S — CID 58706878

IUPAC2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCC(NC(=O)CO)CC4)s3)n2)c1
InChIInChI=1S/C21H24N6O2S/c1-14-5-8-22-19(11-14)26-18-4-2-3-16(25-18)17-12-23-21(30-17)27-9-6-15(7-10-27)24-20(29)13-28/h2-5,8,11-12,15,28H,6-7,9-10,13H2,1H3,(H,24,29)(H,22,25,26)
InChIKeyPUEBPWJFOGRXIC-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.73
Rot. Bonds6

About 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide

2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide (PubChem CID 58706878) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide
PubChem CID58706878
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCC(NC(=O)CO)CC4)s3)n2)c1
InChIInChI=1S/C21H24N6O2S/c1-14-5-8-22-19(11-14)26-18-4-2-3-16(25-18)17-12-23-21(30-17)27-9-6-15(7-10-27)24-20(29)13-28/h2-5,8,11-12,15,28H,6-7,9-10,13H2,1H3,(H,24,29)(H,22,25,26)
InChIKeyPUEBPWJFOGRXIC-UHFFFAOYSA-N
XLogP2.73
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide (CID 58706878) is 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide is Cc1ccnc(Nc2cccc(-c3cnc(N4CCC(NC(=O)CO)CC4)s3)n2)c1.
What is the InChIKey of 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?
The InChIKey is PUEBPWJFOGRXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-14-5-8-22-19(11-14)26-18-4-2-3-16(25-18)17-12-23-21(30-17)27-9-6-15(7-10-27)24-20(29)13-28/h2-5,8,11-12,15,28H,6-7,9-10,13H2,1H3,(H,24,29)(H,22,25,26).
What are the key properties of 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide?
2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide has a molecular weight of 424.53 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 58706878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).