1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C21H22N6O2S — CID 58706710

About 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 58706710) has the molecular formula C21H22N6O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 58706710
• Molecular Formula: C21H22N6O2S
• Molecular Weight: 422.51 g/mol
• Exact Mass: 422.15
• IUPAC Name: 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
• SMILES: CC(=O)c1ccnc(Nc2cccc(-c3cnc(N4CCC(C(N)=O)CC4)s3)n2)c1
• InChI: InChI=1S/C21H22N6O2S/c1-13(28)15-5-8-23-19(11-15)26-18-4-2-3-16(25-18)17-12-24-21(30-17)27-9-6-14(7-10-27)20(22)29/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H2,22,29)(H,23,25,26)
• InChIKey: MCUIDRYVCZPPBX-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 114.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.51
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 58706710) is 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is CC(=O)c1ccnc(Nc2cccc(-c3cnc(N4CCC(C(N)=O)CC4)s3)n2)c1.

What is the InChIKey of 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is MCUIDRYVCZPPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S/c1-13(28)15-5-8-23-19(11-15)26-18-4-2-3-16(25-18)17-12-24-21(30-17)27-9-6-14(7-10-27)20(22)29/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H2,22,29)(H,23,25,26).

What are the key properties of 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?

1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 58706710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).