ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine

C21H26N2 — CID 172578813

IUPACethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine
SMILESC=C(/C=C\C=C(/C)Cc1ccccn1)Cc1ccccn1.CC
InChIInChI=1S/C19H20N2.C2H6/c1-16(14-18-10-3-5-12-20-18)8-7-9-17(2)15-19-11-4-6-13-21-19;1-2/h3-13H,1,14-15H2,2H3;1-2H3/b8-7-,17-9+;
InChIKeyLKJGCPONVZUFBL-UFCHAAFQSA-N
MW306.45 g/mol
LogP5.35
Rot. Bonds6

About ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine

ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine (PubChem CID 172578813) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine.

Molecular Properties

Compound Nameethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine
PubChem CID172578813
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Nameethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine
SMILESC=C(/C=C\C=C(/C)Cc1ccccn1)Cc1ccccn1.CC
InChIInChI=1S/C19H20N2.C2H6/c1-16(14-18-10-3-5-12-20-18)8-7-9-17(2)15-19-11-4-6-13-21-19;1-2/h3-13H,1,14-15H2,2H3;1-2H3/b8-7-,17-9+;
InChIKeyLKJGCPONVZUFBL-UFCHAAFQSA-N
XLogP5.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine 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

2-(2-methylprop-2-enyl)pyridine
CID 12534227
ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine
CID 145149493
ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143599197
(2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine
CID 142289230
2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine
CID 126606807
ethane;pyridin-2-ylmethanamine
CID 90791011
2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine
CID 144892259
(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine
CID 89098917
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
ethane;pyridin-2-ylmethanol
CID 91461493
2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine
CID 91037930
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine?
The IUPAC name of ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine (CID 172578813) is ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine.
What is the SMILES notation for ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine?
The canonical SMILES for ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine is C=C(/C=C\C=C(/C)Cc1ccccn1)Cc1ccccn1.CC.
What is the InChIKey of ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine?
The InChIKey is LKJGCPONVZUFBL-UFCHAAFQSA-N. The full InChI is InChI=1S/C19H20N2.C2H6/c1-16(14-18-10-3-5-12-20-18)8-7-9-17(2)15-19-11-4-6-13-21-19;1-2/h3-13H,1,14-15H2,2H3;1-2H3/b8-7-,17-9+;.
What are the key properties of ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine?
ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine has a molecular weight of 306.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine is sourced from PubChem (CID 172578813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).