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

C28H28ClN5O2 — CID 46259573

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

N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 46259573) has the molecular formula C28H28ClN5O2 and a molecular weight of 502.02 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
• PubChem CID: 46259573
• Molecular Formula: C28H28ClN5O2
• Molecular Weight: 502.02 g/mol
• Exact Mass: 501.19
• IUPAC Name: N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
• SMILES: Cc1ccc(Cn2c(=O)c(N3CCCC(C(=O)NCc4ccccc4Cl)C3)nc3cccnc32)cc1
• InChI: InChI=1S/C28H28ClN5O2/c1-19-10-12-20(13-11-19)17-34-25-24(9-4-14-30-25)32-26(28(34)36)33-15-5-7-22(18-33)27(35)31-16-21-6-2-3-8-23(21)29/h2-4,6,8-14,22H,5,7,15-18H2,1H3,(H,31,35)
• InChIKey: NCGRRBIFIKEYBM-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.02
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide (CID 46259573) is N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide.

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

The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide is Cc1ccc(Cn2c(=O)c(N3CCCC(C(=O)NCc4ccccc4Cl)C3)nc3cccnc32)cc1.

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

The InChIKey is NCGRRBIFIKEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O2/c1-19-10-12-20(13-11-19)17-34-25-24(9-4-14-30-25)32-26(28(34)36)33-15-5-7-22(18-33)27(35)31-16-21-6-2-3-8-23(21)29/h2-4,6,8-14,22H,5,7,15-18H2,1H3,(H,31,35).

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

N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 502.02 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 46259573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).