N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide

C30H33N5O2 — CID 50781674

IUPACN-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)CC1
InChIInChI=1S/C30H33N5O2/c1-4-23-8-5-7-21(3)26(23)33-29(36)24-14-17-34(18-15-24)28-30(37)35(19-22-12-10-20(2)11-13-22)27-25(32-28)9-6-16-31-27/h5-13,16,24H,4,14-15,17-19H2,1-3H3,(H,33,36)
InChIKeyPSQGAUKLUKEBTR-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.87
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 50781674) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID50781674
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)CC1
InChIInChI=1S/C30H33N5O2/c1-4-23-8-5-7-21(3)26(23)33-29(36)24-14-17-34(18-15-24)28-30(37)35(19-22-12-10-20(2)11-13-22)27-25(32-28)9-6-16-31-27/h5-13,16,24H,4,14-15,17-19H2,1-3H3,(H,33,36)
InChIKeyPSQGAUKLUKEBTR-UHFFFAOYSA-N
XLogP4.87
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 50781388
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-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-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781641
(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889244
N-(3,5-dimethylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781351
N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide
CID 46324860
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-[(4-methylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 83276810
N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 46259573
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 50781195
(3S)-N-cyclooctyl-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869797

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide (CID 50781674) is N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide is CCc1cccc(C)c1NC(=O)C1CCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is PSQGAUKLUKEBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-4-23-8-5-7-21(3)26(23)33-29(36)24-14-17-34(18-15-24)28-30(37)35(19-22-12-10-20(2)11-13-22)27-25(32-28)9-6-16-31-27/h5-13,16,24H,4,14-15,17-19H2,1-3H3,(H,33,36).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50781674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).