4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide

C17H17N3O3 — CID 123746182

IUPAC4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide
SMILESCOc1cc(Oc2ccc(CCCC(N)=O)cn2)ccc1C#N
InChIInChI=1S/C17H17N3O3/c1-22-15-9-14(7-6-13(15)10-18)23-17-8-5-12(11-20-17)3-2-4-16(19)21/h5-9,11H,2-4H2,1H3,(H2,19,21)
InChIKeyQRRZLMNZJTXNKJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.56
Rot. Bonds7

About 4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide

4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide (PubChem CID 123746182) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide
PubChem CID123746182
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide
SMILESCOc1cc(Oc2ccc(CCCC(N)=O)cn2)ccc1C#N
InChIInChI=1S/C17H17N3O3/c1-22-15-9-14(7-6-13(15)10-18)23-17-8-5-12(11-20-17)3-2-4-16(19)21/h5-9,11H,2-4H2,1H3,(H2,19,21)
InChIKeyQRRZLMNZJTXNKJ-UHFFFAOYSA-N
XLogP2.56
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile
CID 70975984
5-(4-cyano-3-methoxyphenoxy)pentanoic acid
CID 123565317
3-[(3-cyano-4-methoxyphenyl)methylamino]propanamide
CID 65335970
4-(4-aminophenoxy)-2-methoxybenzonitrile
CID 89154865
6-(3-amino-4-methoxyphenoxy)pyridine-3-carboxamide
CID 103202001
(4-cyano-3-fluorophenyl) (5-dodecyl-2-pyridinyl) carbonate
CID 70435629
2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid
CID 139479710
2-[6-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 80639711
4-methoxy-2-(3-phenylpropoxy)benzonitrile
CID 22685905
6-(3,4,5-trimethoxyphenoxy)pyridine-3-carboxamide
CID 69475423
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
CID 106786755

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide?
The IUPAC name of 4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide (CID 123746182) is 4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide?
The canonical SMILES for 4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide is COc1cc(Oc2ccc(CCCC(N)=O)cn2)ccc1C#N.
What is the InChIKey of 4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide?
The InChIKey is QRRZLMNZJTXNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-15-9-14(7-6-13(15)10-18)23-17-8-5-12(11-20-17)3-2-4-16(19)21/h5-9,11H,2-4H2,1H3,(H2,19,21).
What are the key properties of 4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide?
4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide has a molecular weight of 311.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide is sourced from PubChem (CID 123746182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).