4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide

C18H19N3O4 — CID 46484895

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccc(C#N)cc2OC)cn1
InChIInChI=1S/C18H19N3O4/c1-23-16-10-13(11-19)5-7-15(16)25-9-3-4-17(22)21-14-6-8-18(24-2)20-12-14/h5-8,10,12H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyLDWVJBLFRJFEIE-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.77
Rot. Bonds8

About 4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide

4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide (PubChem CID 46484895) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
PubChem CID46484895
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccc(C#N)cc2OC)cn1
InChIInChI=1S/C18H19N3O4/c1-23-16-10-13(11-19)5-7-15(16)25-9-3-4-17(22)21-14-6-8-18(24-2)20-12-14/h5-8,10,12H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyLDWVJBLFRJFEIE-UHFFFAOYSA-N
XLogP2.77
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 55718903
4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
CID 60590949
4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
CID 47835221
4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
CID 48585204
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide
CID 55758533
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55713615

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide (CID 46484895) is 4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide is COc1ccc(NC(=O)CCCOc2ccc(C#N)cc2OC)cn1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide?
The InChIKey is LDWVJBLFRJFEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-23-16-10-13(11-19)5-7-15(16)25-9-3-4-17(22)21-14-6-8-18(24-2)20-12-14/h5-8,10,12H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide has a molecular weight of 341.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide is sourced from PubChem (CID 46484895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).