3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one

C26H29N3O2 — CID 139642847

IUPAC3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3C)OC(=O)c3ccncc32)cc1
InChIInChI=1S/C26H29N3O2/c1-6-29(7-2)20-10-8-19(9-11-20)26(23-13-12-21(28(4)5)16-18(23)3)24-17-27-15-14-22(24)25(30)31-26/h8-17H,6-7H2,1-5H3
InChIKeyCXYIKANZJFQXOC-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.76
Rot. Bonds6

About 3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one

3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one (PubChem CID 139642847) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one
PubChem CID139642847
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3C)OC(=O)c3ccncc32)cc1
InChIInChI=1S/C26H29N3O2/c1-6-29(7-2)20-10-8-19(9-11-20)26(23-13-12-21(28(4)5)16-18(23)3)24-17-27-15-14-22(24)25(30)31-26/h8-17H,6-7H2,1-5H3
InChIKeyCXYIKANZJFQXOC-UHFFFAOYSA-N
XLogP4.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one
CID 139642806
1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one
CID 139642820
3-[4-(diethylamino)-2-ethoxyphenyl]-3-[4-(diethylamino)-2-propoxyphenyl]furo[3,4-c]pyridin-1-one
CID 139669641
3-[2-chloro-4-(diethylamino)phenyl]-3-[4-(diethylamino)-2-ethoxyphenyl]furo[3,4-c]pyridin-1-one
CID 139669640
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-[2-methyl-4-[methyl(prop-2-enyl)amino]phenyl]-2-benzofuran-1-one
CID 22153994
3-[4-(diethylamino)-2-methylphenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)furo[3,4-c]pyridin-1-one
CID 20534311
3,3-bis[4-(dibutylamino)-2-methylphenyl]-2-benzofuran-1-one;3,3-bis[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 157114567
7-[4-(diethylamino)-2-methylphenyl]-7-[4-[ethyl(oxolan-2-ylmethyl)amino]phenyl]furo[3,4-b]pyridin-5-one
CID 139802330
3,3-diphenylfuro[3,4-c]pyridin-1-one
CID 12671386
3-[2,4-bis(dimethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 101140245
7-[4-(diethylamino)-2-nitrophenyl]-7-[4-(dimethylamino)phenyl]furo[3,4-b]pyridin-5-one
CID 139642804
3,3-bis[4-(diethylamino)-2-ethylsulfanylphenyl]-2-benzofuran-1-one;7,7-bis[4-(diethylamino)-2-ethylsulfanylphenyl]furo[3,4-b]pyridin-5-one;3-[4-(diethylamino)-2-ethylsulfanylphenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one
CID 161087382

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one?
The IUPAC name of 3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one (CID 139642847) is 3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one.
What is the SMILES notation for 3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one?
The canonical SMILES for 3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one is CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3C)OC(=O)c3ccncc32)cc1.
What is the InChIKey of 3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one?
The InChIKey is CXYIKANZJFQXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-6-29(7-2)20-10-8-19(9-11-20)26(23-13-12-21(28(4)5)16-18(23)3)24-17-27-15-14-22(24)25(30)31-26/h8-17H,6-7H2,1-5H3.
What are the key properties of 3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one?
3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one has a molecular weight of 415.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one is sourced from PubChem (CID 139642847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).