1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine

C22H25N — CID 144943855

IUPAC1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine
SMILESC=C1C=CC(C2=C(c3cccc(C)c3)CC(C)C=C2)=CN1CC
InChIInChI=1S/C22H25N/c1-5-23-15-20(11-10-18(23)4)21-12-9-17(3)14-22(21)19-8-6-7-16(2)13-19/h6-13,15,17H,4-5,14H2,1-3H3
InChIKeyJEUXPHAJIWOHDT-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.63
Rot. Bonds3

About 1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine

1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine (PubChem CID 144943855) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine.

Molecular Properties

Compound Name1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine
PubChem CID144943855
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine
SMILESC=C1C=CC(C2=C(c3cccc(C)c3)CC(C)C=C2)=CN1CC
InChIInChI=1S/C22H25N/c1-5-23-15-20(11-10-18(23)4)21-12-9-17(3)14-22(21)19-8-6-7-16(2)13-19/h6-13,15,17H,4-5,14H2,1-3H3
InChIKeyJEUXPHAJIWOHDT-UHFFFAOYSA-N
XLogP5.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]-1,6-naphthyridine
CID 144602307
6-[2-(3-cyclopropylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-1,2,3,4-tetrahydroquinoxaline
CID 144943706
1-methyl-3-(2-methylcyclopenten-1-yl)benzene
CID 10866804
ethane;2-ethynyl-N-methyl-5-[6-methylidene-1-[(3-methylphenyl)methyl]-3-pyridinyl]aniline
CID 145297951
1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene
CID 143848245
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 145174438
ethene;1-methyl-3-phenylbenzene
CID 142622149
3-[6-methylidene-1-(3-methylphenyl)-3-pyridinyl]phenol
CID 89134247
5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene
CID 143688466
5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117150420
2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole
CID 134289682
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine?
The IUPAC name of 1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine (CID 144943855) is 1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine.
What is the SMILES notation for 1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine?
The canonical SMILES for 1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine is C=C1C=CC(C2=C(c3cccc(C)c3)CC(C)C=C2)=CN1CC.
What is the InChIKey of 1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine?
The InChIKey is JEUXPHAJIWOHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-5-23-15-20(11-10-18(23)4)21-12-9-17(3)14-22(21)19-8-6-7-16(2)13-19/h6-13,15,17H,4-5,14H2,1-3H3.
What are the key properties of 1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine?
1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine has a molecular weight of 303.45 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylidene-5-[4-methyl-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]pyridine is sourced from PubChem (CID 144943855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).