N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide

C17H17N3O2 — CID 714514

IUPACN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C17H17N3O2/c1-4-16(21)20-13-6-5-7-14(9-13)22-17-15(10-18)11(2)8-12(3)19-17/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyUOEMXTRCLVFERL-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.71
Rot. Bonds4

About N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide

N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide (PubChem CID 714514) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide
PubChem CID714514
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C17H17N3O2/c1-4-16(21)20-13-6-5-7-14(9-13)22-17-15(10-18)11(2)8-12(3)19-17/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyUOEMXTRCLVFERL-UHFFFAOYSA-N
XLogP3.71
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide
CID 714287
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide
CID 714979
4-[3-(propanoylamino)phenoxy]phthalic acid
CID 9320972
2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175544
(2R)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 40552281
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(3-iodophenyl)acetamide
CID 41432808
dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate
CID 9321640
2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175739
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 33227599
2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide
CID 108767054
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate
CID 168522708

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide?
The IUPAC name of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide (CID 714514) is N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide.
What is the SMILES notation for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide?
The canonical SMILES for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide is CCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide?
The InChIKey is UOEMXTRCLVFERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-16(21)20-13-6-5-7-14(9-13)22-17-15(10-18)11(2)8-12(3)19-17/h5-9H,4H2,1-3H3,(H,20,21).
What are the key properties of N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide?
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide has a molecular weight of 295.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide is sourced from PubChem (CID 714514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).