N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide

C25H27N5O3 — CID 66899697

IUPACN-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCC(=Cc3cccc(OCCc4cccnc4)c3)CC2)cn1
InChIInChI=1S/C25H27N5O3/c1-32-24-18-27-23(17-28-24)29-25(31)30-11-7-19(8-12-30)14-21-4-2-6-22(15-21)33-13-9-20-5-3-10-26-16-20/h2-6,10,14-18H,7-9,11-13H2,1H3,(H,27,29,31)
InChIKeyBQCHLOMMPDFWLJ-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.21
Rot. Bonds7

About N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide

N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66899697) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66899697
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCC(=Cc3cccc(OCCc4cccnc4)c3)CC2)cn1
InChIInChI=1S/C25H27N5O3/c1-32-24-18-27-23(17-28-24)29-25(31)30-11-7-19(8-12-30)14-21-4-2-6-22(15-21)33-13-9-20-5-3-10-26-16-20/h2-6,10,14-18H,7-9,11-13H2,1H3,(H,27,29,31)
InChIKeyBQCHLOMMPDFWLJ-UHFFFAOYSA-N
XLogP4.21
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide with MolForge

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Related Compounds

4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide
CID 66886134
N-(5-methoxypyrazin-2-yl)-4-[[3-(4,4,4-trifluoro-2-methylbutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66884974
N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66896937
4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66875738
4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66886122
4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
CID 66884258
4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66889276
N-pyridin-3-yl-4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24964786
3-methyl-N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66885968
(4E)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[[3-[2-(3-methoxyphenyl)ethoxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66884820
4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 166076228
N-(6-chloropyridazin-3-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24966910

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide (CID 66899697) is N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide is COc1cnc(NC(=O)N2CCC(=Cc3cccc(OCCc4cccnc4)c3)CC2)cn1.
What is the InChIKey of N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is BQCHLOMMPDFWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-32-24-18-27-23(17-28-24)29-25(31)30-11-7-19(8-12-30)14-21-4-2-6-22(15-21)33-13-9-20-5-3-10-26-16-20/h2-6,10,14-18H,7-9,11-13H2,1H3,(H,27,29,31).
What are the key properties of N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66899697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).