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

C29H31N5O2 — CID 50781424

IUPAC1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)cc1
InChIInChI=1S/C29H31N5O2/c1-2-21-12-14-22(15-13-21)18-31-28(35)24-10-7-17-33(20-24)27-29(36)34(19-23-8-4-3-5-9-23)26-25(32-27)11-6-16-30-26/h3-6,8-9,11-16,24H,2,7,10,17-20H2,1H3,(H,31,35)
InChIKeyXQBNKHZLTZZJHJ-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.93
Rot. Bonds7

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

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 50781424) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
PubChem CID50781424
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC Name1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)cc1
InChIInChI=1S/C29H31N5O2/c1-2-21-12-14-22(15-13-21)18-31-28(35)24-10-7-17-33(20-24)27-29(36)34(19-23-8-4-3-5-9-23)26-25(32-27)11-6-16-30-26/h3-6,8-9,11-16,24H,2,7,10,17-20H2,1H3,(H,31,35)
InChIKeyXQBNKHZLTZZJHJ-UHFFFAOYSA-N
XLogP3.93
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 50781390
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50781580
N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 46259573
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070369
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889292
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 50781449
(3S)-N-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889280
(3R)-N-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889279
(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889244
(3S)-N-cyclooctyl-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869797
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 50781368

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide (CID 50781424) is 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide is CCc1ccc(CNC(=O)C2CCCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)C2)cc1.
What is the InChIKey of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is XQBNKHZLTZZJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-2-21-12-14-22(15-13-21)18-31-28(35)24-10-7-17-33(20-24)27-29(36)34(19-23-8-4-3-5-9-23)26-25(32-27)11-6-16-30-26/h3-6,8-9,11-16,24H,2,7,10,17-20H2,1H3,(H,31,35).
What are the key properties of 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 50781424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).