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

C28H29N5O3 — CID 50781349

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

N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 50781349) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
• PubChem CID: 50781349
• Molecular Formula: C28H29N5O3
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.23
• IUPAC Name: N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
• SMILES: COc1cccc(NC(=O)C2CCCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)C2)c1
• InChI: InChI=1S/C28H29N5O3/c1-19-10-12-20(13-11-19)17-33-25-24(9-4-14-29-25)31-26(28(33)35)32-15-5-6-21(18-32)27(34)30-22-7-3-8-23(16-22)36-2/h3-4,7-14,16,21H,5-6,15,17-18H2,1-2H3,(H,30,34)
• InChIKey: OZIOYUNCQJEABP-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide (CID 50781349) is N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide.

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

The canonical SMILES for N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide is COc1cccc(NC(=O)C2CCCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)C2)c1.

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

The InChIKey is OZIOYUNCQJEABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-19-10-12-20(13-11-19)17-33-25-24(9-4-14-29-25)31-26(28(33)35)32-15-5-6-21(18-32)27(34)30-22-7-3-8-23(16-22)36-2/h3-4,7-14,16,21H,5-6,15,17-18H2,1-2H3,(H,30,34).

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

N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 50781349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).