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

C23H27N5O2 — CID 50781580

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

1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 50781580) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 50781580
• Molecular Formula: C23H27N5O2
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.22
• IUPAC Name: 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CCn1c(=O)c(N2CCCC(C(=O)NCc3ccc(C)cc3)C2)nc2cccnc21
• InChI: InChI=1S/C23H27N5O2/c1-3-28-20-19(7-4-12-24-20)26-21(23(28)30)27-13-5-6-18(15-27)22(29)25-14-17-10-8-16(2)9-11-17/h4,7-12,18H,3,5-6,13-15H2,1-2H3,(H,25,29)
• InChIKey: PHPRMOJQQQLOPK-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 50781580) is 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is CCn1c(=O)c(N2CCCC(C(=O)NCc3ccc(C)cc3)C2)nc2cccnc21.

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

The InChIKey is PHPRMOJQQQLOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-28-20-19(7-4-12-24-20)26-21(23(28)30)27-13-5-6-18(15-27)22(29)25-14-17-10-8-16(2)9-11-17/h4,7-12,18H,3,5-6,13-15H2,1-2H3,(H,25,29).

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

1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 50781580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).