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

C23H33N5O2 — CID 46324894

IUPACN-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
SMILESCCn1c(=O)c(N2CCCC(C(=O)NC3CCCCCCC3)C2)nc2cccnc21
InChIInChI=1S/C23H33N5O2/c1-2-28-20-19(13-8-14-24-20)26-21(23(28)30)27-15-9-10-17(16-27)22(29)25-18-11-6-4-3-5-7-12-18/h8,13-14,17-18H,2-7,9-12,15-16H2,1H3,(H,25,29)
InChIKeyMDMSZTSJNSNJSD-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.26
Rot. Bonds4

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

N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 46324894) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
PubChem CID46324894
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
SMILESCCn1c(=O)c(N2CCCC(C(=O)NC3CCCCCCC3)C2)nc2cccnc21
InChIInChI=1S/C23H33N5O2/c1-2-28-20-19(13-8-14-24-20)26-21(23(28)30)27-15-9-10-17(16-27)22(29)25-18-11-6-4-3-5-7-12-18/h8,13-14,17-18H,2-7,9-12,15-16H2,1H3,(H,25,29)
InChIKeyMDMSZTSJNSNJSD-UHFFFAOYSA-N
XLogP3.26
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(3S)-N-cyclooctyl-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869797
(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454576
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50781580
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 50781195
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 50781682
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 50781424
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 50781390
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070379
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
(3S)-N-(2-chlorophenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889244

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide (CID 46324894) is N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide is CCn1c(=O)c(N2CCCC(C(=O)NC3CCCCCCC3)C2)nc2cccnc21.
What is the InChIKey of N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is MDMSZTSJNSNJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-2-28-20-19(13-8-14-24-20)26-21(23(28)30)27-15-9-10-17(16-27)22(29)25-18-11-6-4-3-5-7-12-18/h8,13-14,17-18H,2-7,9-12,15-16H2,1H3,(H,25,29).
What are the key properties of N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46324894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).