1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C26H26N6O2 — CID 50781390

About 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 50781390) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 50781390
• Molecular Formula: C26H26N6O2
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.21
• IUPAC Name: 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• SMILES: O=C(NCc1ccccn1)C1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1
• InChI: InChI=1S/C26H26N6O2/c33-25(29-16-21-11-4-5-13-27-21)20-10-7-15-31(18-20)24-26(34)32(17-19-8-2-1-3-9-19)23-22(30-24)12-6-14-28-23/h1-6,8-9,11-14,20H,7,10,15-18H2,(H,29,33)
• InChIKey: DJYLTLSYMCZYBB-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 50781390) is 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)C1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1.

What is the InChIKey of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?

The InChIKey is DJYLTLSYMCZYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c33-25(29-16-21-11-4-5-13-27-21)20-10-7-15-31(18-20)24-26(34)32(17-19-8-2-1-3-9-19)23-22(30-24)12-6-14-28-23/h1-6,8-9,11-14,20H,7,10,15-18H2,(H,29,33).

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

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 50781390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).