(2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine

C19H20N2 — CID 142200263

IUPAC(2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine
SMILESC/N=C(/C=C(C)/C=C\c1cccc(C)c1)c1ccccn1
InChIInChI=1S/C19H20N2/c1-15-7-6-8-17(13-15)11-10-16(2)14-19(20-3)18-9-4-5-12-21-18/h4-14H,1-3H3/b11-10-,16-14+,20-19-
InChIKeyZTFWZVQEZJOBGD-GVQSRXRMSA-N
MW276.38 g/mol
LogP4.47
Rot. Bonds4

About (2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine

(2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine (PubChem CID 142200263) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine
PubChem CID142200263
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name(2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine
SMILESC/N=C(/C=C(C)/C=C\c1cccc(C)c1)c1ccccn1
InChIInChI=1S/C19H20N2/c1-15-7-6-8-17(13-15)11-10-16(2)14-19(20-3)18-9-4-5-12-21-18/h4-14H,1-3H3/b11-10-,16-14+,20-19-
InChIKeyZTFWZVQEZJOBGD-GVQSRXRMSA-N
XLogP4.47
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.47
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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Related Compounds

2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
3-[3-(3,5-dimethylphenyl)phenyl]-1-pyridin-2-ylprop-2-en-1-one
CID 166064540
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
3-(3-aminophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 3049495
2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine
CID 87146074
(E)-3-(3-methylphenyl)prop-2-enethioyl chloride
CID 22736701
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine
CID 18763102
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine (CID 142200263) is (2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine is C/N=C(/C=C(C)/C=C\c1cccc(C)c1)c1ccccn1.
What is the InChIKey of (2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine?
The InChIKey is ZTFWZVQEZJOBGD-GVQSRXRMSA-N. The full InChI is InChI=1S/C19H20N2/c1-15-7-6-8-17(13-15)11-10-16(2)14-19(20-3)18-9-4-5-12-21-18/h4-14H,1-3H3/b11-10-,16-14+,20-19-.
What are the key properties of (2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine?
(2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine has a molecular weight of 276.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,3-dimethyl-5-(3-methylphenyl)-1-pyridin-2-ylpenta-2,4-dien-1-imine is sourced from PubChem (CID 142200263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).