2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine

C19H19N — CID 142986451

IUPAC2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine
SMILESC=C(/C=C(C)\C=C(/C)c1ccccc1)c1ccccn1
InChIInChI=1S/C19H19N/c1-15(13-16(2)18-9-5-4-6-10-18)14-17(3)19-11-7-8-12-20-19/h4-14H,3H2,1-2H3/b15-14-,16-13+
InChIKeyABDKILHGYRSHKB-AILVWVMCSA-N
MW261.37 g/mol
LogP5.14
Rot. Bonds4

About 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine

2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine (PubChem CID 142986451) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine.

Molecular Properties

Compound Name2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine
PubChem CID142986451
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine
SMILESC=C(/C=C(C)\C=C(/C)c1ccccc1)c1ccccn1
InChIInChI=1S/C19H19N/c1-15(13-16(2)18-9-5-4-6-10-18)14-17(3)19-11-7-8-12-20-19/h4-14H,3H2,1-2H3/b15-14-,16-13+
InChIKeyABDKILHGYRSHKB-AILVWVMCSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]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-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
CID 139420658
2-methylprop-2-enoic acid;pyridine-2-carboxylic acid
CID 174790121
2-(3-methylbuta-1,3-dien-2-yl)pyridine
CID 91495924
(E)-2-pyridin-2-ylprop-1-en-1-amine
CID 22861961
2-[(3E,5Z)-4-[(Z)-2-(2-methylphenyl)ethenyl]hepta-1,3,5-trien-2-yl]pyridine
CID 142200200
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
2-[2-[2,5-dimethyl-4-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine
CID 54097207
2-(4-phenylbut-2-en-2-yl)pyridine
CID 175479491
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
N-[(1Z,3E)-1-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-pyridin-2-ylpenta-1,3-dienyl]methanimine
CID 134384412
2-[(Z)-pent-2-en-2-yl]pyridine
CID 45079825
N-[(3E)-4-phenylpenta-1,3-dien-2-yl]aniline
CID 167145828

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine?
The IUPAC name of 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine (CID 142986451) is 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine.
What is the SMILES notation for 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine?
The canonical SMILES for 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine is C=C(/C=C(C)\C=C(/C)c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine?
The InChIKey is ABDKILHGYRSHKB-AILVWVMCSA-N. The full InChI is InChI=1S/C19H19N/c1-15(13-16(2)18-9-5-4-6-10-18)14-17(3)19-11-7-8-12-20-19/h4-14H,3H2,1-2H3/b15-14-,16-13+.
What are the key properties of 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine?
2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine has a molecular weight of 261.37 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine is sourced from PubChem (CID 142986451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).