N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide

C26H25N5O2 — CID 66885242

IUPACN-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4ccc(C#N)nc4)CC3C)c2)cn1
InChIInChI=1S/C26H25N5O2/c1-18-17-31(26(32)30-23-8-7-22(14-27)29-15-23)11-10-21(18)12-20-4-3-5-24(13-20)33-25-9-6-19(2)28-16-25/h3-9,12-13,15-16,18H,10-11,17H2,1-2H3,(H,30,32)
InChIKeyRZPMEZNFJSTEHL-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.41
Rot. Bonds4

About N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide

N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66885242) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66885242
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4ccc(C#N)nc4)CC3C)c2)cn1
InChIInChI=1S/C26H25N5O2/c1-18-17-31(26(32)30-23-8-7-22(14-27)29-15-23)11-10-21(18)12-20-4-3-5-24(13-20)33-25-9-6-19(2)28-16-25/h3-9,12-13,15-16,18H,10-11,17H2,1-2H3,(H,30,32)
InChIKeyRZPMEZNFJSTEHL-UHFFFAOYSA-N
XLogP5.41
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66885420
3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66883411
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66886029
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66885876
4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885355
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883931
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885631
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]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 66884842
(4E)-4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 67229064
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66885490
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide
CID 66885660

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 66885242) is N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4ccc(C#N)nc4)CC3C)c2)cn1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is RZPMEZNFJSTEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-18-17-31(26(32)30-23-8-7-22(14-27)29-15-23)11-10-21(18)12-20-4-3-5-24(13-20)33-25-9-6-19(2)28-16-25/h3-9,12-13,15-16,18H,10-11,17H2,1-2H3,(H,30,32).
What are the key properties of N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66885242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).