4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline

C27H31N3O2 — CID 24785683

IUPAC4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline
SMILESCOc1cc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(OC)c3)n2)ccc1N(C)C
InChIInChI=1S/C27H31N3O2/c1-29(2)24-16-12-20(18-26(24)31-5)10-14-22-8-7-9-23(28-22)15-11-21-13-17-25(30(3)4)27(19-21)32-6/h7-19H,1-6H3/b14-10+,15-11+
InChIKeyWNKBRGRDSFRASQ-WFYKWJGLSA-N
MW429.56 g/mol
LogP5.57
Rot. Bonds8

About 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline

4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline (PubChem CID 24785683) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline
PubChem CID24785683
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline
SMILESCOc1cc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(OC)c3)n2)ccc1N(C)C
InChIInChI=1S/C27H31N3O2/c1-29(2)24-16-12-20(18-26(24)31-5)10-14-22-8-7-9-23(28-22)15-11-21-13-17-25(30(3)4)27(19-21)32-6/h7-19H,1-6H3/b14-10+,15-11+
InChIKeyWNKBRGRDSFRASQ-WFYKWJGLSA-N
XLogP5.57
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

8-Methoxy-2-Methylquinoline
CID 316986
N,N-Diethyl-2-(2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenoxy)ethanamine
CID 26377
2-[2-(3-Methoxyphenyl)ethynyl]-6-methylpyridine
CID 5311462
1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 13900359
1-(2-Methoxy-phenyl)-4-(5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 14198545
8-(Benzyloxy)-2-methylquinoline
CID 737473
Leiopyrole hydrochloride
CID 26376
1-(2-Methoxy-phenyl)-4-(1-methyl-5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 44364142
1-(2-Methoxy-phenyl)-4-[5-(2-methoxy-phenyl)-1H-pyrrol-2-ylmethyl]-piperazine
CID 14198549
1-[5-(2,6-Difluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 14198550
2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline
CID 16664222
5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline
CID 24785163

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline (CID 24785683) is 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline is COc1cc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(OC)c3)n2)ccc1N(C)C.
What is the InChIKey of 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline?
The InChIKey is WNKBRGRDSFRASQ-WFYKWJGLSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-29(2)24-16-12-20(18-26(24)31-5)10-14-22-8-7-9-23(28-22)15-11-21-13-17-25(30(3)4)27(19-21)32-6/h7-19H,1-6H3/b14-10+,15-11+.
What are the key properties of 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline?
4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline has a molecular weight of 429.56 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-methoxyphenyl]ethenyl]-2-pyridinyl]ethenyl]-2-methoxy-N,N-dimethylaniline is sourced from PubChem (CID 24785683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).