1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

C19H24NO2Y- — CID 160820868

IUPAC1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccc(OCCCOC)cc2)N1CC.[Y]
InChIInChI=1S/C19H24NO2.Y/c1-5-20-16(3)15(2)7-12-19(20)17-8-10-18(11-9-17)22-14-6-13-21-4;/h7-11H,3,5-6,13-14H2,1-2,4H3;/q-1;
InChIKeyOCGSSABNUXHJDX-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.04
Rot. Bonds7

About 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 160820868) has the molecular formula C19H24NO2Y- and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID160820868
Molecular FormulaC19H24NO2Y-
Molecular Weight387.31 g/mol
Exact Mass387.09
IUPAC Name1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccc(OCCCOC)cc2)N1CC.[Y]
InChIInChI=1S/C19H24NO2.Y/c1-5-20-16(3)15(2)7-12-19(20)17-8-10-18(11-9-17)22-14-6-13-21-4;/h7-11H,3,5-6,13-14H2,1-2,4H3;/q-1;
InChIKeyOCGSSABNUXHJDX-UHFFFAOYSA-N
XLogP4.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-difluoroethyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160689185
1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160772540
2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159431424
2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153086018
5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158289970
1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160771850
4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium
CID 158882257
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159935289
5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157409502
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 160820868) is 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(C)=C[C-]=C(c2ccc(OCCCOC)cc2)N1CC.[Y].
What is the InChIKey of 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is OCGSSABNUXHJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO2.Y/c1-5-20-16(3)15(2)7-12-19(20)17-8-10-18(11-9-17)22-14-6-13-21-4;/h7-11H,3,5-6,13-14H2,1-2,4H3;/q-1;.
What are the key properties of 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 387.31 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 160820868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).