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

C27H29N5O3 — CID 46324860

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

N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 46324860) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
• PubChem CID: 46324860
• Molecular Formula: C27H29N5O3
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.23
• IUPAC Name: N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc(Cn2c(=O)c(N3CCC(C(=O)NCCc4ccco4)CC3)nc3cccnc32)cc1
• InChI: InChI=1S/C27H29N5O3/c1-19-6-8-20(9-7-19)18-32-24-23(5-2-13-28-24)30-25(27(32)34)31-15-11-21(12-16-31)26(33)29-14-10-22-4-3-17-35-22/h2-9,13,17,21H,10-12,14-16,18H2,1H3,(H,29,33)
• InChIKey: OZXHCBKIUHUUNP-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide (CID 46324860) is N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide is Cc1ccc(Cn2c(=O)c(N3CCC(C(=O)NCCc4ccco4)CC3)nc3cccnc32)cc1.

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

The InChIKey is OZXHCBKIUHUUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-19-6-8-20(9-7-19)18-32-24-23(5-2-13-28-24)30-25(27(32)34)31-15-11-21(12-16-31)26(33)29-14-10-22-4-3-17-35-22/h2-9,13,17,21H,10-12,14-16,18H2,1H3,(H,29,33).

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

N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46324860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).