N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide

C29H31N5O2 — CID 50781351

IUPACN-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCCC(C(=O)Nc4cc(C)cc(C)c4)C3)nc3cccnc32)cc1
InChIInChI=1S/C29H31N5O2/c1-19-8-10-22(11-9-19)17-34-26-25(7-4-12-30-26)32-27(29(34)36)33-13-5-6-23(18-33)28(35)31-24-15-20(2)14-21(3)16-24/h4,7-12,14-16,23H,5-6,13,17-18H2,1-3H3,(H,31,35)
InChIKeyLCIIITUGFVGNRM-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.62
Rot. Bonds5

About N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide

N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 50781351) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
PubChem CID50781351
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC NameN-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCCC(C(=O)Nc4cc(C)cc(C)c4)C3)nc3cccnc32)cc1
InChIInChI=1S/C29H31N5O2/c1-19-8-10-22(11-9-19)17-34-26-25(7-4-12-30-26)32-27(29(34)36)33-13-5-6-23(18-33)28(35)31-24-15-20(2)14-21(3)16-24/h4,7-12,14-16,23H,5-6,13,17-18H2,1-3H3,(H,31,35)
InChIKeyLCIIITUGFVGNRM-UHFFFAOYSA-N
XLogP4.62
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781641
1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 46324928
(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
(3R)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92869806
N-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781349
(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
N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 46259573
4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781639
(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-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide (CID 50781351) is N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide is Cc1ccc(Cn2c(=O)c(N3CCCC(C(=O)Nc4cc(C)cc(C)c4)C3)nc3cccnc32)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?
The InChIKey is LCIIITUGFVGNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-19-8-10-22(11-9-19)17-34-26-25(7-4-12-30-26)32-27(29(34)36)33-13-5-6-23(18-33)28(35)31-24-15-20(2)14-21(3)16-24/h4,7-12,14-16,23H,5-6,13,17-18H2,1-3H3,(H,31,35).
What are the key properties of N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide?
N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 50781351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).