4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile

C27H24N4O3 — CID 90984394

IUPAC4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile
SMILESCCC1CCN(C(=O)c2cc(Oc3ccc(C#N)cc3)nc(Oc3ccc(C#N)cc3)c2)CC1
InChIInChI=1S/C27H24N4O3/c1-2-19-11-13-31(14-12-19)27(32)22-15-25(33-23-7-3-20(17-28)4-8-23)30-26(16-22)34-24-9-5-21(18-29)6-10-24/h3-10,15-16,19H,2,11-14H2,1H3
InChIKeyWCJRXYLEFJDERK-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.67
Rot. Bonds6

About 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile

4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile (PubChem CID 90984394) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile
PubChem CID90984394
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile
SMILESCCC1CCN(C(=O)c2cc(Oc3ccc(C#N)cc3)nc(Oc3ccc(C#N)cc3)c2)CC1
InChIInChI=1S/C27H24N4O3/c1-2-19-11-13-31(14-12-19)27(32)22-15-25(33-23-7-3-20(17-28)4-8-23)30-26(16-22)34-24-9-5-21(18-29)6-10-24/h3-10,15-16,19H,2,11-14H2,1H3
InChIKeyWCJRXYLEFJDERK-UHFFFAOYSA-N
XLogP5.67
TPSA99.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile with MolForge

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Related Compounds

4-[[3-(4-cyanophenoxy)-5-(4-ethylpiperidine-1-carbonyl)phenoxy]methyl]benzonitrile
CID 91205779
2-[1-(4-cyanobenzoyl)piperidin-4-yl]acetic acid
CID 78980423
4-[[4-[4-(2-aminoethyl)piperidine-1-carbonyl]-6-(4-carbamimidoylphenoxy)-2-pyridinyl]oxy]benzenecarboximidamide
CID 66818889
[4-(2-aminoethyl)piperidin-1-yl]-(2-phenoxy-6-propan-2-yloxy-4-pyridinyl)methanone
CID 141280408
4-[4-(diethylaminomethyl)piperidine-1-carbonyl]benzonitrile
CID 51082940
4-[6-[4-(4-ethylpiperidine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 148782489
3-(3-ethylpyrrolidine-1-carbonyl)benzonitrile
CID 112697926
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
3-[[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(4-cyanophenoxy)phenoxy]methyl]benzonitrile
CID 141280516
tert-butyl 2-amino-2-[4-[3-(4-cyanophenoxy)-5-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carbonyl]phenoxy]phenyl]acetate
CID 66818467
(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188938
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile (CID 90984394) is 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile is CCC1CCN(C(=O)c2cc(Oc3ccc(C#N)cc3)nc(Oc3ccc(C#N)cc3)c2)CC1.
What is the InChIKey of 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile?
The InChIKey is WCJRXYLEFJDERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-2-19-11-13-31(14-12-19)27(32)22-15-25(33-23-7-3-20(17-28)4-8-23)30-26(16-22)34-24-9-5-21(18-29)6-10-24/h3-10,15-16,19H,2,11-14H2,1H3.
What are the key properties of 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile?
4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile has a molecular weight of 452.51 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-cyanophenoxy)-4-(4-ethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 90984394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).