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

C24H27N5O3 — CID 89464821

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

N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 89464821) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide
• PubChem CID: 89464821
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide
• SMILES: COc1cc(NC(=O)C2CCN(c3ccnc(-c4ccnc(C)c4)n3)CC2)cc(OC)c1
• InChI: InChI=1S/C24H27N5O3/c1-16-12-18(4-8-25-16)23-26-9-5-22(28-23)29-10-6-17(7-11-29)24(30)27-19-13-20(31-2)15-21(14-19)32-3/h4-5,8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,27,30)
• InChIKey: JUFPMYYWSIADGD-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 89464821) is N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide.

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

The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(c3ccnc(-c4ccnc(C)c4)n3)CC2)cc(OC)c1.

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

The InChIKey is JUFPMYYWSIADGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-12-18(4-8-25-16)23-26-9-5-22(28-23)29-10-6-17(7-11-29)24(30)27-19-13-20(31-2)15-21(14-19)32-3/h4-5,8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,27,30).

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

N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-1-[2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 89464821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).