2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide

C25H21N5O3 — CID 67607186

IUPAC2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide
SMILESN#Cc1ccc(Oc2cc(C(=O)NC3CCNCC3)cc(Oc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C25H21N5O3/c26-15-17-1-5-21(6-2-17)32-23-13-19(25(31)29-20-9-11-28-12-10-20)14-24(30-23)33-22-7-3-18(16-27)4-8-22/h1-8,13-14,20,28H,9-12H2,(H,29,31)
InChIKeyVWAUXIKVVCGVFH-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.89
Rot. Bonds6

About 2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide

2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide (PubChem CID 67607186) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide
PubChem CID67607186
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide
SMILESN#Cc1ccc(Oc2cc(C(=O)NC3CCNCC3)cc(Oc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C25H21N5O3/c26-15-17-1-5-21(6-2-17)32-23-13-19(25(31)29-20-9-11-28-12-10-20)14-24(30-23)33-22-7-3-18(16-27)4-8-22/h1-8,13-14,20,28H,9-12H2,(H,29,31)
InChIKeyVWAUXIKVVCGVFH-UHFFFAOYSA-N
XLogP3.89
TPSA120.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
[4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid
CID 141280425
[4-[[3-(4-cyanobutoxy)-5-(4-cyanophenoxy)benzoyl]amino]cyclohexyl]carbamic acid
CID 141280481
3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide
CID 91557518
N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119386172
4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile
CID 90984394
N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119388069
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
5-(4-methoxyphenyl)-N-piperidin-4-ylpyridine-3-carboxamide
CID 71730777
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide?
The IUPAC name of 2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide (CID 67607186) is 2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide?
The canonical SMILES for 2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide is N#Cc1ccc(Oc2cc(C(=O)NC3CCNCC3)cc(Oc3ccc(C#N)cc3)n2)cc1.
What is the InChIKey of 2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide?
The InChIKey is VWAUXIKVVCGVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c26-15-17-1-5-21(6-2-17)32-23-13-19(25(31)29-20-9-11-28-12-10-20)14-24(30-23)33-22-7-3-18(16-27)4-8-22/h1-8,13-14,20,28H,9-12H2,(H,29,31).
What are the key properties of 2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide?
2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 67607186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).