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

C29H31N5O2 — CID 50781388

IUPACN-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)CC1
InChIInChI=1S/C29H31N5O2/c1-3-22-7-4-5-8-24(22)32-28(35)23-14-17-33(18-15-23)27-29(36)34(19-21-12-10-20(2)11-13-21)26-25(31-27)9-6-16-30-26/h4-13,16,23H,3,14-15,17-19H2,1-2H3,(H,32,35)
InChIKeyXJAWWNXEMJEFHK-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.57
Rot. Bonds6

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

N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 50781388) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID50781388
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC NameN-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)CC1
InChIInChI=1S/C29H31N5O2/c1-3-22-7-4-5-8-24(22)32-28(35)23-14-17-33(18-15-23)27-29(36)34(19-21-12-10-20(2)11-13-21)26-25(31-27)9-6-16-30-26/h4-13,16,23H,3,14-15,17-19H2,1-2H3,(H,32,35)
InChIKeyXJAWWNXEMJEFHK-UHFFFAOYSA-N
XLogP4.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 50781674
(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889244
(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
N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781351
N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 46259573
1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 46324928
N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 46324860
N-(3-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781641
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-[(4-methylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 83276810
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 53021678
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889292

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide (CID 50781388) is N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide is CCc1ccccc1NC(=O)C1CCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is XJAWWNXEMJEFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-3-22-7-4-5-8-24(22)32-28(35)23-14-17-33(18-15-23)27-29(36)34(19-21-12-10-20(2)11-13-21)26-25(31-27)9-6-16-30-26/h4-13,16,23H,3,14-15,17-19H2,1-2H3,(H,32,35).
What are the key properties of N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide?
N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50781388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).