2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine

C22H21N — CID 170229762

IUPAC2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine
SMILESC/C(=C\C=C(/C)c1cccc2ccccc12)c1ccc(C)nc1
InChIInChI=1S/C22H21N/c1-16(20-14-13-18(3)23-15-20)11-12-17(2)21-10-6-8-19-7-4-5-9-22(19)21/h4-15H,1-3H3/b16-11+,17-12+
InChIKeySGRIHUOQHBVMDA-MAEUFBSDSA-N
MW299.42 g/mol
LogP6.05
Rot. Bonds3

About 2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine

2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine (PubChem CID 170229762) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine
PubChem CID170229762
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine
SMILESC/C(=C\C=C(/C)c1cccc2ccccc12)c1ccc(C)nc1
InChIInChI=1S/C22H21N/c1-16(20-14-13-18(3)23-15-20)11-12-17(2)21-10-6-8-19-7-4-5-9-22(19)21/h4-15H,1-3H3/b16-11+,17-12+
InChIKeySGRIHUOQHBVMDA-MAEUFBSDSA-N
XLogP6.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[2-(naphthalene-1-carbonylamino)ethyl]pyridine-3-carboxamide
CID 8990934
(Z)-3-naphthalen-1-ylbut-2-enal
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2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine
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1-(1-bromoprop-1-en-2-yl)naphthalene
CID 158497087
5-hexa-2,4-dien-2-ylbenzo[10]annulene
CID 123186746
triethyl-[(E)-2-naphthalen-1-ylprop-1-enyl]silane
CID 101087823
2-[(E)-2-naphthalen-1-ylprop-1-enyl]pyridine
CID 90079269
(Z)-4-naphthalen-1-ylpent-3-en-2-ol
CID 103971171
2-methyl-5-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 6011457
1-naphthalen-1-ylethylidenezirconium(2+)
CID 158619381
1-(6-methyl-3-pyridinyl)ethanethione
CID 56619669
1-oct-2-en-2-ylnaphthalene
CID 71332649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine?
The IUPAC name of 2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine (CID 170229762) is 2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine.
What is the SMILES notation for 2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine?
The canonical SMILES for 2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine is C/C(=C\C=C(/C)c1cccc2ccccc12)c1ccc(C)nc1.
What is the InChIKey of 2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine?
The InChIKey is SGRIHUOQHBVMDA-MAEUFBSDSA-N. The full InChI is InChI=1S/C22H21N/c1-16(20-14-13-18(3)23-15-20)11-12-17(2)21-10-6-8-19-7-4-5-9-22(19)21/h4-15H,1-3H3/b16-11+,17-12+.
What are the key properties of 2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine?
2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine has a molecular weight of 299.42 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine is sourced from PubChem (CID 170229762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).