(4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide

C28H27N5O2 — CID 66885420

IUPAC(4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(C#N)nc2)CC/C1=C\c1cccc(Oc2ccc(C3CC3)cn2)c1
InChIInChI=1S/C28H27N5O2/c1-19-18-33(28(34)32-25-9-8-24(15-29)30-17-25)12-11-22(19)13-20-3-2-4-26(14-20)35-27-10-7-23(16-31-27)21-5-6-21/h2-4,7-10,13-14,16-17,19,21H,5-6,11-12,18H2,1H3,(H,32,34)/b22-13+
InChIKeyUCOXTEFXMXEPAY-LPYMAVHISA-N
MW465.56 g/mol
LogP5.98
Rot. Bonds5

About (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide

(4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide (PubChem CID 66885420) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
PubChem CID66885420
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name(4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(C#N)nc2)CC/C1=C\c1cccc(Oc2ccc(C3CC3)cn2)c1
InChIInChI=1S/C28H27N5O2/c1-19-18-33(28(34)32-25-9-8-24(15-29)30-17-25)12-11-22(19)13-20-3-2-4-26(14-20)35-27-10-7-23(16-31-27)21-5-6-21/h2-4,7-10,13-14,16-17,19,21H,5-6,11-12,18H2,1H3,(H,32,34)/b22-13+
InChIKeyUCOXTEFXMXEPAY-LPYMAVHISA-N
XLogP5.98
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885242
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885631
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-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885355
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 66884842
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
CID 66884258
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883931
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
4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66884318
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66886029
(4E)-4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 67229064

Frequently Asked Questions

What is the IUPAC name of (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide?
The IUPAC name of (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide (CID 66885420) is (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2ccc(C#N)nc2)CC/C1=C\c1cccc(Oc2ccc(C3CC3)cn2)c1.
What is the InChIKey of (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide?
The InChIKey is UCOXTEFXMXEPAY-LPYMAVHISA-N. The full InChI is InChI=1S/C28H27N5O2/c1-19-18-33(28(34)32-25-9-8-24(15-29)30-17-25)12-11-22(19)13-20-3-2-4-26(14-20)35-27-10-7-23(16-31-27)21-5-6-21/h2-4,7-10,13-14,16-17,19,21H,5-6,11-12,18H2,1H3,(H,32,34)/b22-13+.
What are the key properties of (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide?
(4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 66885420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).