2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide

C17H17N3O2 — CID 51193139

IUPAC2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NC(C)c1cccnc1
InChIInChI=1S/C17H17N3O2/c1-12(15-4-3-9-19-11-15)20-17(21)13(2)22-16-7-5-14(10-18)6-8-16/h3-9,11-13H,1-2H3,(H,20,21)
InChIKeyAVVQAUOYVWQISU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.60
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide

2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide (PubChem CID 51193139) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
PubChem CID51193139
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NC(C)c1cccnc1
InChIInChI=1S/C17H17N3O2/c1-12(15-4-3-9-19-11-15)20-17(21)13(2)22-16-7-5-14(10-18)6-8-16/h3-9,11-13H,1-2H3,(H,20,21)
InChIKeyAVVQAUOYVWQISU-UHFFFAOYSA-N
XLogP2.60
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 55793168
(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 95283248
2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 110931128
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81407237
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46650681
2-(4-cyanophenoxy)-N-(3-hydroxy-2-pyridinyl)propanamide
CID 51188816
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide (CID 51193139) is 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NC(C)c1cccnc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide?
The InChIKey is AVVQAUOYVWQISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12(15-4-3-9-19-11-15)20-17(21)13(2)22-16-7-5-14(10-18)6-8-16/h3-9,11-13H,1-2H3,(H,20,21).
What are the key properties of 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide?
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 51193139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).