1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C23H23N5O3S — CID 16594024

About 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 16594024) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 16594024
• Molecular Formula: C23H23N5O3S
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.15
• IUPAC Name: 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
• SMILES: COc1ccc(-c2csc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)n2)c(OC)c1
• InChI: InChI=1S/C23H23N5O3S/c1-30-17-4-5-18(20(11-17)31-2)19-14-32-23(26-19)27-22(29)16-7-9-28(10-8-16)21-6-3-15(12-24)13-25-21/h3-6,11,13-14,16H,7-10H2,1-2H3,(H,26,27,29)
• InChIKey: RNJQCYWLDHNCLB-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 100.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.54
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 16594024) is 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2csc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)n2)c(OC)c1.

What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is RNJQCYWLDHNCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-30-17-4-5-18(20(11-17)31-2)19-14-32-23(26-19)27-22(29)16-7-9-28(10-8-16)21-6-3-15(12-24)13-25-21/h3-6,11,13-14,16H,7-10H2,1-2H3,(H,26,27,29).

What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?

1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-cyano-2-pyridinyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16594024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).