2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine

C24H27NO4 — CID 167420574

IUPAC2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine
SMILESCCc1cc(OC[C@H]2COCCO2)cc(OCc2ccc(C#CC3CC3)cc2)n1
InChIInChI=1S/C24H27NO4/c1-2-21-13-22(28-17-23-16-26-11-12-27-23)14-24(25-21)29-15-20-9-7-19(8-10-20)6-5-18-3-4-18/h7-10,13-14,18,23H,2-4,11-12,15-17H2,1H3/t23-/m1/s1
InChIKeyWRDYGYUEVJYKGV-HSZRJFAPSA-N
MW393.48 g/mol
LogP3.78
Rot. Bonds7

About 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine

2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine (PubChem CID 167420574) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine.

Molecular Properties

Compound Name2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine
PubChem CID167420574
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine
SMILESCCc1cc(OC[C@H]2COCCO2)cc(OCc2ccc(C#CC3CC3)cc2)n1
InChIInChI=1S/C24H27NO4/c1-2-21-13-22(28-17-23-16-26-11-12-27-23)14-24(25-21)29-15-20-9-7-19(8-10-20)6-5-18-3-4-18/h7-10,13-14,18,23H,2-4,11-12,15-17H2,1H3/t23-/m1/s1
InChIKeyWRDYGYUEVJYKGV-HSZRJFAPSA-N
XLogP3.78
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine with MolForge

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Related Compounds

2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methylpyrimidine
CID 164856238
1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-4-(1,4-dioxan-2-ylmethoxy)-6-methylpyrimidin-2-one
CID 164856021
1-[1-[4-(2-cyclopropylethynyl)phenyl]propyl]-4-(1,4-dioxan-2-ylmethoxy)-6-methylpyridin-2-one
CID 164856471
1-[(1R)-1-[4-(2-cyclopropylethynyl)phenyl]ethyl]-4-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-methylpyridin-2-one
CID 164856070
4-[4-(2-cyclopropylethynyl)-2-methylphenyl]-6-(1,4-dioxan-2-ylmethoxy)-2-methoxypyrimidine
CID 164856413
2-[4-[2-[6-(1,4-dioxan-2-ylmethoxy)-4-phenylmethoxy-2-pyridinyl]ethynyl]phenoxy]ethanamine;hydrochloride
CID 166529846
1-[3-(2-cyclopropylethynyl)phenyl]-4-(1,4-dioxan-2-ylmethoxy)-6-methylpyridin-2-one
CID 164856136
1-[[4-(2-cyclopropylethynyl)-2-methylphenyl]methyl]-4-[[(2S)-1,4-dioxan-2-yl]methoxy]pyridin-2-one
CID 167175823
6-(1,4-dioxan-2-ylmethoxy)-3-methyl-4-phenylmethoxy-2-[2-(4-propylphenyl)ethynyl]pyridine
CID 166529813
1-[1-[5-(2-cyclopropylethynyl)-3-methyl-2-pyridinyl]ethyl]-4-[[(2S)-1,4-dioxan-2-yl]methoxy]pyridin-2-one
CID 167175775
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
CID 164856462
2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine?
The IUPAC name of 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine (CID 167420574) is 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine.
What is the SMILES notation for 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine?
The canonical SMILES for 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine is CCc1cc(OC[C@H]2COCCO2)cc(OCc2ccc(C#CC3CC3)cc2)n1.
What is the InChIKey of 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine?
The InChIKey is WRDYGYUEVJYKGV-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27NO4/c1-2-21-13-22(28-17-23-16-26-11-12-27-23)14-24(25-21)29-15-20-9-7-19(8-10-20)6-5-18-3-4-18/h7-10,13-14,18,23H,2-4,11-12,15-17H2,1H3/t23-/m1/s1.
What are the key properties of 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine?
2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine has a molecular weight of 393.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-cyclopropylethynyl)phenyl]methoxy]-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-ethylpyridine is sourced from PubChem (CID 167420574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).