2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane

C28H44N2O — CID 143580310

IUPAC2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane
SMILESC/C=C(/C)c1nc(-c2ccc(C(C)C)nc2CC)ccc1C.CCC[C@H](CC)COC
InChIInChI=1S/C20H26N2.C8H18O/c1-7-14(5)20-15(6)9-11-19(22-20)16-10-12-18(13(3)4)21-17(16)8-2;1-4-6-8(5-2)7-9-3/h7,9-13H,8H2,1-6H3;8H,4-7H2,1-3H3/b14-7-;/t;8-/m.0/s1
InChIKeyPDWUTVMBNDWUEO-PCTAPIIASA-N
MW424.67 g/mol
LogP8.02
Rot. Bonds9

About 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane

2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane (PubChem CID 143580310) has the molecular formula C28H44N2O and a molecular weight of 424.67 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane
PubChem CID143580310
Molecular FormulaC28H44N2O
Molecular Weight424.67 g/mol
Exact Mass424.35
IUPAC Name2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane
SMILESC/C=C(/C)c1nc(-c2ccc(C(C)C)nc2CC)ccc1C.CCC[C@H](CC)COC
InChIInChI=1S/C20H26N2.C8H18O/c1-7-14(5)20-15(6)9-11-19(22-20)16-10-12-18(13(3)4)21-17(16)8-2;1-4-6-8(5-2)7-9-3/h7,9-13H,8H2,1-6H3;8H,4-7H2,1-3H3/b14-7-;/t;8-/m.0/s1
InChIKeyPDWUTVMBNDWUEO-PCTAPIIASA-N
XLogP8.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane with MolForge

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Launch Full Analysis

Related Compounds

ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol
CID 143580453
N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine
CID 143580209
6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine
CID 58702927
(2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol
CID 69408235
(5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine
CID 143580169
6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane
CID 143580476
2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol
CID 143580493
ethane;2-methoxy-3-methyl-6-propan-2-ylpyridine
CID 170578383
ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine
CID 143580082
3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
CID 143580126
1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine
CID 58703168
(2S)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butanoic acid
CID 71157631

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane (CID 143580310) is 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane is C/C=C(/C)c1nc(-c2ccc(C(C)C)nc2CC)ccc1C.CCC[C@H](CC)COC.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane?
The InChIKey is PDWUTVMBNDWUEO-PCTAPIIASA-N. The full InChI is InChI=1S/C20H26N2.C8H18O/c1-7-14(5)20-15(6)9-11-19(22-20)16-10-12-18(13(3)4)21-17(16)8-2;1-4-6-8(5-2)7-9-3/h7,9-13H,8H2,1-6H3;8H,4-7H2,1-3H3/b14-7-;/t;8-/m.0/s1.
What are the key properties of 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane?
2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane has a molecular weight of 424.67 g/mol, XLogP of 8.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyridine;(3S)-3-(methoxymethyl)hexane is sourced from PubChem (CID 143580310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).