4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide

C24H24BrN5O3 — CID 66884258

IUPAC4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(Br)cn4)c3)C(C)C2)cn1
InChIInChI=1S/C24H24BrN5O3/c1-16-15-30(24(31)29-21-13-28-23(32-2)14-26-21)9-8-18(16)10-17-4-3-5-20(11-17)33-22-7-6-19(25)12-27-22/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,26,29,31)
InChIKeyFWOWVFDHCKORPM-UHFFFAOYSA-N
MW510.39 g/mol
LogP5.39
Rot. Bonds5

About 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide

4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide (PubChem CID 66884258) has the molecular formula C24H24BrN5O3 and a molecular weight of 510.39 g/mol. Its IUPAC name is 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
PubChem CID66884258
Molecular FormulaC24H24BrN5O3
Molecular Weight510.39 g/mol
Exact Mass509.11
IUPAC Name4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(Br)cn4)c3)C(C)C2)cn1
InChIInChI=1S/C24H24BrN5O3/c1-16-15-30(24(31)29-21-13-28-23(32-2)14-26-21)9-8-18(16)10-17-4-3-5-20(11-17)33-22-7-6-19(25)12-27-22/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,26,29,31)
InChIKeyFWOWVFDHCKORPM-UHFFFAOYSA-N
XLogP5.39
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.39
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885355
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885631
(4E)-N-(6-methoxypyrazin-2-yl)-3-methyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66884196
4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 66884616
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66885490
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66884600
(4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66885420
5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine
CID 66884912
4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide
CID 66886134
4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66884318
3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66883411

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide (CID 66884258) is 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide is COc1cnc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(Br)cn4)c3)C(C)C2)cn1.
What is the InChIKey of 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide?
The InChIKey is FWOWVFDHCKORPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5O3/c1-16-15-30(24(31)29-21-13-28-23(32-2)14-26-21)9-8-18(16)10-17-4-3-5-20(11-17)33-22-7-6-19(25)12-27-22/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,26,29,31).
What are the key properties of 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide?
4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide has a molecular weight of 510.39 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 66884258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).