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

C25H27N3O2 — CID 139642820

IUPAC1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cnccc32)cc1
InChIInChI=1S/C25H27N3O2/c1-5-28(6-2)21-13-9-19(10-14-21)25(18-7-11-20(12-8-18)27(3)4)23-15-16-26-17-22(23)24(29)30-25/h7-17H,5-6H2,1-4H3
InChIKeyPLNOPRRNIHLMAU-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.46
Rot. Bonds6

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

1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one (PubChem CID 139642820) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one
PubChem CID139642820
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one
SMILESCCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cnccc32)cc1
InChIInChI=1S/C25H27N3O2/c1-5-28(6-2)21-13-9-19(10-14-21)25(18-7-11-20(12-8-18)27(3)4)23-15-16-26-17-22(23)24(29)30-25/h7-17H,5-6H2,1-4H3
InChIKeyPLNOPRRNIHLMAU-UHFFFAOYSA-N
XLogP4.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.46
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-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]furo[3,4-c]pyridin-1-one
CID 139642847
1,1-bis[2-(chloromethyl)-4-(diethylamino)phenyl]furo[3,4-c]pyridin-3-one
CID 139642810
3,3-bis[4-(diethylamino)-2-(dimethylamino)phenyl]furo[3,4-c]pyridin-1-one
CID 139642806
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
CID 20731315
7-[4-(diethylamino)-2-nitrophenyl]-7-[4-(dimethylamino)phenyl]furo[3,4-b]pyridin-5-one
CID 139642804
5,6-dichloro-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 20525380
3,3-bis[4-(dimethylamino)phenyl]-6-dimethylarsanyl-2-benzofuran-1-one
CID 87968651
3,3-bis[4-(dibutylamino)phenyl]-2-benzofuran-1-one
CID 22292500
5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one
CID 139669536
3-[4-(diethylamino)-2-ethoxyphenyl]-3-[4-(diethylamino)-2-propoxyphenyl]furo[3,4-c]pyridin-1-one
CID 139669641
3,3-diphenylfuro[3,4-c]pyridin-1-one
CID 12671386
3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one
CID 70576549

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one?
The IUPAC name of 1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one (CID 139642820) is 1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one is CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cnccc32)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one?
The InChIKey is PLNOPRRNIHLMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-5-28(6-2)21-13-9-19(10-14-21)25(18-7-11-20(12-8-18)27(3)4)23-15-16-26-17-22(23)24(29)30-25/h7-17H,5-6H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one?
1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one has a molecular weight of 401.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 139642820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).