N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine

C19H18N2 — CID 156852631

IUPACN-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)c1cnc(C)c(/C=C/c2ccccc2)c1
InChIInChI=1S/C19H18N2/c1-4-17(13-20-3)19-12-18(15(2)21-14-19)11-10-16-8-6-5-7-9-16/h4-14H,1,3H2,2H3/b11-10+,17-13+
InChIKeyPZLDTOAQHGHZFL-DWLYSLLYSA-N
MW274.37 g/mol
LogP4.79
Rot. Bonds5

About N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine

N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine (PubChem CID 156852631) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine
PubChem CID156852631
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC NameN-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)c1cnc(C)c(/C=C/c2ccccc2)c1
InChIInChI=1S/C19H18N2/c1-4-17(13-20-3)19-12-18(15(2)21-14-19)11-10-16-8-6-5-7-9-16/h4-14H,1,3H2,2H3/b11-10+,17-13+
InChIKeyPZLDTOAQHGHZFL-DWLYSLLYSA-N
XLogP4.79
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine (CID 156852631) is N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine is C=C/C(=C\N=C)c1cnc(C)c(/C=C/c2ccccc2)c1.
What is the InChIKey of N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine?
The InChIKey is PZLDTOAQHGHZFL-DWLYSLLYSA-N. The full InChI is InChI=1S/C19H18N2/c1-4-17(13-20-3)19-12-18(15(2)21-14-19)11-10-16-8-6-5-7-9-16/h4-14H,1,3H2,2H3/b11-10+,17-13+.
What are the key properties of N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine?
N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine has a molecular weight of 274.37 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-[6-methyl-5-[(E)-2-phenylethenyl]-3-pyridinyl]buta-1,3-dienyl]methanimine is sourced from PubChem (CID 156852631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).