2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol

C25H27N3O2 — CID 135582042

IUPAC2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol
SMILESCN(C)c1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(N(C)C)c3)n2)ccc1O
InChIInChI=1S/C25H27N3O2/c1-27(2)22-16-18(10-14-24(22)29)8-12-20-6-5-7-21(26-20)13-9-19-11-15-25(30)23(17-19)28(3)4/h5-17,29-30H,1-4H3/b12-8+,13-9+
InChIKeyUKZMDFAYHFBTEO-QHKWOANTSA-N
MW401.51 g/mol
LogP4.97
Rot. Bonds6

About 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol

2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol (PubChem CID 135582042) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol.

Molecular Properties

Compound Name2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol
PubChem CID135582042
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol
SMILESCN(C)c1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(N(C)C)c3)n2)ccc1O
InChIInChI=1S/C25H27N3O2/c1-27(2)22-16-18(10-14-24(22)29)8-12-20-6-5-7-21(26-20)13-9-19-11-15-25(30)23(17-19)28(3)4/h5-17,29-30H,1-4H3/b12-8+,13-9+
InChIKeyUKZMDFAYHFBTEO-QHKWOANTSA-N
XLogP4.97
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol?
The IUPAC name of 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol (CID 135582042) is 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol.
What is the SMILES notation for 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol?
The canonical SMILES for 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol is CN(C)c1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(N(C)C)c3)n2)ccc1O.
What is the InChIKey of 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol?
The InChIKey is UKZMDFAYHFBTEO-QHKWOANTSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27(2)22-16-18(10-14-24(22)29)8-12-20-6-5-7-21(26-20)13-9-19-11-15-25(30)23(17-19)28(3)4/h5-17,29-30H,1-4H3/b12-8+,13-9+.
What are the key properties of 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol?
2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol has a molecular weight of 401.51 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]-2-pyridinyl]ethenyl]phenol is sourced from PubChem (CID 135582042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).