3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline

C32H35N3O3 — CID 10279152

IUPAC3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline
SMILESCOc1ccc(N(Cc2cccnc2)c2ccc(OCCCc3ccncc3)cc2)cc1OC1CCCC1
InChIInChI=1S/C32H35N3O3/c1-36-31-15-12-28(22-32(31)38-30-8-2-3-9-30)35(24-26-6-4-18-34-23-26)27-10-13-29(14-11-27)37-21-5-7-25-16-19-33-20-17-25/h4,6,10-20,22-23,30H,2-3,5,7-9,21,24H2,1H3
InChIKeyQWWRUEDGELBPGG-UHFFFAOYSA-N
MW509.65 g/mol
LogP7.16
Rot. Bonds12

About 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline

3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline (PubChem CID 10279152) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline.

Molecular Properties

Compound Name3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline
PubChem CID10279152
Molecular FormulaC32H35N3O3
Molecular Weight509.65 g/mol
Exact Mass509.27
IUPAC Name3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline
SMILESCOc1ccc(N(Cc2cccnc2)c2ccc(OCCCc3ccncc3)cc2)cc1OC1CCCC1
InChIInChI=1S/C32H35N3O3/c1-36-31-15-12-28(22-32(31)38-30-8-2-3-9-30)35(24-26-6-4-18-34-23-26)27-10-13-29(14-11-27)37-21-5-7-25-16-19-33-20-17-25/h4,6,10-20,22-23,30H,2-3,5,7-9,21,24H2,1H3
InChIKeyQWWRUEDGELBPGG-UHFFFAOYSA-N
XLogP7.16
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline with MolForge

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Related Compounds

(2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol
CID 44603330
N-[2-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]ethyl]butane-1-sulfonamide
CID 10166259
3-cyclopentyloxy-4-methoxy-N-[4-(oxolan-2-yloxy)phenyl]-N-(pyridin-3-ylmethyl)aniline
CID 22747709
N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 22747548
N-(3-chloro-4-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 10224353
3-cyclopentyloxy-4-methoxy-N-(2-methylphenyl)-N-(pyridin-3-ylmethyl)aniline
CID 18453304
3-[3-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol
CID 75078942
(2R)-3-[3-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol
CID 44603331
tert-butyl 4-[3-cyclohexyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoate
CID 91138588
3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 22747558
tert-butyl 3-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoate
CID 10457620
3-[2-(4-chlorophenoxy)ethoxy]-4-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 10298288

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline?
The IUPAC name of 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline (CID 10279152) is 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline.
What is the SMILES notation for 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline?
The canonical SMILES for 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline is COc1ccc(N(Cc2cccnc2)c2ccc(OCCCc3ccncc3)cc2)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline?
The InChIKey is QWWRUEDGELBPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-36-31-15-12-28(22-32(31)38-30-8-2-3-9-30)35(24-26-6-4-18-34-23-26)27-10-13-29(14-11-27)37-21-5-7-25-16-19-33-20-17-25/h4,6,10-20,22-23,30H,2-3,5,7-9,21,24H2,1H3.
What are the key properties of 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline?
3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline has a molecular weight of 509.65 g/mol, XLogP of 7.16, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(3-pyridin-4-ylpropoxy)phenyl]aniline is sourced from PubChem (CID 10279152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).