1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine

C18H19NO2 — CID 158723879

IUPAC1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine
SMILESC#CC1=CC=C(c2ccc(OCOC)cc2)N(CC)C1=C
InChIInChI=1S/C18H19NO2/c1-5-15-9-12-18(19(6-2)14(15)3)16-7-10-17(11-8-16)21-13-20-4/h1,7-12H,3,6,13H2,2,4H3
InChIKeyQNFGOOBNYOKBFK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.42
Rot. Bonds5

About 1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine

1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine (PubChem CID 158723879) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine.

Molecular Properties

Compound Name1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine
PubChem CID158723879
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine
SMILESC#CC1=CC=C(c2ccc(OCOC)cc2)N(CC)C1=C
InChIInChI=1S/C18H19NO2/c1-5-15-9-12-18(19(6-2)14(15)3)16-7-10-17(11-8-16)21-13-20-4/h1,7-12H,3,6,13H2,2,4H3
InChIKeyQNFGOOBNYOKBFK-UHFFFAOYSA-N
XLogP3.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(methoxymethoxy)benzene
CID 542643
1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one
CID 153451379
3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153451361
6-(4-chlorophenyl)-3-ethynyl-1-methyl-2-methylidenepyridine
CID 161409978
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158289970
6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine
CID 149001165
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160820868
1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene
CID 146373657
1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-2-(4-prop-2-enoxyphenyl)-3H-pyridin-3-ide;yttrium
CID 158178771
3-iodo-6-[4-(2-methoxyethoxy)phenyl]-1-methyl-2-methylidenepyridine
CID 158644812

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine?
The IUPAC name of 1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine (CID 158723879) is 1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine.
What is the SMILES notation for 1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine?
The canonical SMILES for 1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine is C#CC1=CC=C(c2ccc(OCOC)cc2)N(CC)C1=C.
What is the InChIKey of 1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine?
The InChIKey is QNFGOOBNYOKBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-5-15-9-12-18(19(6-2)14(15)3)16-7-10-17(11-8-16)21-13-20-4/h1,7-12H,3,6,13H2,2,4H3.
What are the key properties of 1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine?
1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine has a molecular weight of 281.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine is sourced from PubChem (CID 158723879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).