2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide

C23H21N3O3 — CID 55707900

IUPAC2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C23H21N3O3/c1-17(29-22-10-4-18(13-24)5-11-22)23(27)26-15-19-6-8-21(9-7-19)28-16-20-3-2-12-25-14-20/h2-12,14,17H,15-16H2,1H3,(H,26,27)
InChIKeyFJMCEYAZBBJVMQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.62
Rot. Bonds8

About 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide

2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide (PubChem CID 55707900) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
PubChem CID55707900
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C23H21N3O3/c1-17(29-22-10-4-18(13-24)5-11-22)23(27)26-15-19-6-8-21(9-7-19)28-16-20-3-2-12-25-14-20/h2-12,14,17H,15-16H2,1H3,(H,26,27)
InChIKeyFJMCEYAZBBJVMQ-UHFFFAOYSA-N
XLogP3.62
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide
CID 94538513
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
CID 51193139
2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 46464883
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide (CID 55707900) is 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
The InChIKey is FJMCEYAZBBJVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-17(29-22-10-4-18(13-24)5-11-22)23(27)26-15-19-6-8-21(9-7-19)28-16-20-3-2-12-25-14-20/h2-12,14,17H,15-16H2,1H3,(H,26,27).
What are the key properties of 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide?
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide has a molecular weight of 387.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 55707900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).