(Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol

C22H31N3O2 — CID 71157785

IUPAC(Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol
SMILESC/C=C(\c1nc(C)c(-c2ccc(OCC)nc2CC)nc1C)C(CC)CO
InChIInChI=1S/C22H31N3O2/c1-7-16(13-26)17(8-2)21-14(5)24-22(15(6)23-21)18-11-12-20(27-10-4)25-19(18)9-3/h8,11-12,16,26H,7,9-10,13H2,1-6H3/b17-8-
InChIKeyKQKUWVIMQLJOCX-IUXPMGMMSA-N
MW369.51 g/mol
LogP4.54
Rot. Bonds8

About (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol

(Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol (PubChem CID 71157785) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol.

Molecular Properties

Compound Name(Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol
PubChem CID71157785
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name(Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol
SMILESC/C=C(\c1nc(C)c(-c2ccc(OCC)nc2CC)nc1C)C(CC)CO
InChIInChI=1S/C22H31N3O2/c1-7-16(13-26)17(8-2)21-14(5)24-22(15(6)23-21)18-11-12-20(27-10-4)25-19(18)9-3/h8,11-12,16,26H,7,9-10,13H2,1-6H3/b17-8-
InChIKeyKQKUWVIMQLJOCX-IUXPMGMMSA-N
XLogP4.54
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
CID 71157493
butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine
CID 143580290
5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol
CID 143580486
ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol
CID 143580453
2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane
CID 143580271
(3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol
CID 24788873
(6S)-2-(6-ethoxy-2-ethyl-3-pyridinyl)-6-(fluoromethyl)-6-(methoxymethyl)-3,9-dimethyl-5,7-dihydrocyclohepta[b]pyridine
CID 143580491
(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
5-[6-(dimethylamino)-2-ethyl-3-pyridinyl]-6-methyl-3-methylsulfanyl-N-pentan-3-ylpyrazin-2-amine
CID 58804411
1-[[2-amino-6-chloro-5-[2-(6-ethoxy-2-methyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-3-ethylbutane-1,4-diol
CID 143946900
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine
CID 58702800

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol?
The IUPAC name of (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol (CID 71157785) is (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol.
What is the SMILES notation for (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol?
The canonical SMILES for (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol is C/C=C(\c1nc(C)c(-c2ccc(OCC)nc2CC)nc1C)C(CC)CO.
What is the InChIKey of (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol?
The InChIKey is KQKUWVIMQLJOCX-IUXPMGMMSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-7-16(13-26)17(8-2)21-14(5)24-22(15(6)23-21)18-11-12-20(27-10-4)25-19(18)9-3/h8,11-12,16,26H,7,9-10,13H2,1-6H3/b17-8-.
What are the key properties of (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol?
(Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol has a molecular weight of 369.51 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol is sourced from PubChem (CID 71157785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).