(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine

C22H24N2O — CID 121373949

IUPAC(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine
SMILESCOc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/c2cccnc2)cc1
InChIInChI=1S/C22H24N2O/c1-18(14-15-23)5-3-7-20(9-8-19-6-4-16-24-17-19)21-10-12-22(25-2)13-11-21/h3-14,16-17H,15,23H2,1-2H3/b5-3+,9-8+,18-14+,20-7-
InChIKeyKFCRMXROMGRYNW-ZBTMZJOKSA-N
MW332.45 g/mol
LogP4.65
Rot. Bonds7

About (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine

(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine (PubChem CID 121373949) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine
PubChem CID121373949
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine
SMILESCOc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/c2cccnc2)cc1
InChIInChI=1S/C22H24N2O/c1-18(14-15-23)5-3-7-20(9-8-19-6-4-16-24-17-19)21-10-12-22(25-2)13-11-21/h3-14,16-17H,15,23H2,1-2H3/b5-3+,9-8+,18-14+,20-7-
InChIKeyKFCRMXROMGRYNW-ZBTMZJOKSA-N
XLogP4.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine
CID 121373917
(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
CID 134965441
[4-[(1E,3Z,5E,7E)-3-(4-methoxyphenyl)-7-methyl-9-oxonona-1,3,5,7-tetraenyl]phenyl] acetate
CID 121364402
3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
CID 122218067
(E)-3-(6-methoxynaphthalen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854375
methyl 2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenoxy]acetate
CID 51097580
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
(E)-1-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 6366746
3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine
CID 143368310
methanethiol;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465005
(E)-1-[4-(difluoromethoxy)phenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 19542807
(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride
CID 177475963

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine?
The IUPAC name of (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine (CID 121373949) is (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine is COc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/c2cccnc2)cc1.
What is the InChIKey of (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine?
The InChIKey is KFCRMXROMGRYNW-ZBTMZJOKSA-N. The full InChI is InChI=1S/C22H24N2O/c1-18(14-15-23)5-3-7-20(9-8-19-6-4-16-24-17-19)21-10-12-22(25-2)13-11-21/h3-14,16-17H,15,23H2,1-2H3/b5-3+,9-8+,18-14+,20-7-.
What are the key properties of (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine?
(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine has a molecular weight of 332.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 121373949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).