(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide

C29H31N5O3 — CID 92889292

About (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide

(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 92889292) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
• PubChem CID: 92889292
• Molecular Formula: C29H31N5O3
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.24
• IUPAC Name: (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
• SMILES: COc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)C1
• InChI: InChI=1S/C29H31N5O3/c1-20-11-13-21(14-12-20)18-34-26-24(9-5-15-30-26)32-27(29(34)36)33-16-6-8-23(19-33)28(35)31-17-22-7-3-4-10-25(22)37-2/h3-5,7,9-15,23H,6,8,16-19H2,1-2H3,(H,31,35)/t23-/m0/s1
• InChIKey: OEFZHPYRICOSCE-QHCPKHFHSA-N
• XLogP: 3.69
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide (CID 92889292) is (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide is COc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)C1.

What is the InChIKey of (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?

The InChIKey is OEFZHPYRICOSCE-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-20-11-13-21(14-12-20)18-34-26-24(9-5-15-30-26)32-27(29(34)36)33-16-6-8-23(19-33)28(35)31-17-22-7-3-4-10-25(22)37-2/h3-5,7,9-15,23H,6,8,16-19H2,1-2H3,(H,31,35)/t23-/m0/s1.

What are the key properties of (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?

(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92889292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).