3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide

C20H27N5O2 — CID 118794907

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 118794907) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
• PubChem CID: 118794907
• Molecular Formula: C20H27N5O2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.22
• IUPAC Name: 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
• SMILES: Cc1cc(C)n(CCC(=O)NC2CCCN(Cc3cccnc3)C2)c(=O)n1
• InChI: InChI=1S/C20H27N5O2/c1-15-11-16(2)25(20(27)22-15)10-7-19(26)23-18-6-4-9-24(14-18)13-17-5-3-8-21-12-17/h3,5,8,11-12,18H,4,6-7,9-10,13-14H2,1-2H3,(H,23,26)
• InChIKey: BYUAYUHKDKDCGN-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide?

The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide (CID 118794907) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide.

What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide?

The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide is Cc1cc(C)n(CCC(=O)NC2CCCN(Cc3cccnc3)C2)c(=O)n1.

What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide?

The InChIKey is BYUAYUHKDKDCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-11-16(2)25(20(27)22-15)10-7-19(26)23-18-6-4-9-24(14-18)13-17-5-3-8-21-12-17/h3,5,8,11-12,18H,4,6-7,9-10,13-14H2,1-2H3,(H,23,26).

What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide?

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 118794907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).