7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C24H28N4O2 — CID 51949017

About 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51949017) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 51949017
• Molecular Formula: C24H28N4O2
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.22
• IUPAC Name: 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc2ncc(C(=O)NCc3ccc(CN4CCC[C@H](C)C4)cc3)c(=O)n2c1
• InChI: InChI=1S/C24H28N4O2/c1-17-4-3-11-27(14-17)16-20-8-6-19(7-9-20)12-26-23(29)21-13-25-22-10-5-18(2)15-28(22)24(21)30/h5-10,13,15,17H,3-4,11-12,14,16H2,1-2H3,(H,26,29)/t17-/m0/s1
• InChIKey: NIXQNUAGQAAUDL-KRWDZBQOSA-N
• XLogP: 3.16
• TPSA: 66.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51949017) is 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NCc3ccc(CN4CCC[C@H](C)C4)cc3)c(=O)n2c1.

What is the InChIKey of 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is NIXQNUAGQAAUDL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-4-3-11-27(14-17)16-20-8-6-19(7-9-20)12-26-23(29)21-13-25-22-10-5-18(2)15-28(22)24(21)30/h5-10,13,15,17H,3-4,11-12,14,16H2,1-2H3,(H,26,29)/t17-/m0/s1.

What are the key properties of 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51949017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).