3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one

C28H33N3O — CID 20978616

IUPAC3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one
SMILESCN1CCC=CC1CC1(CC2C=CCCN2C)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H33N3O/c1-29-18-10-8-14-23(29)20-28(21-24-15-9-11-19-30(24)2)25-16-6-7-17-26(25)31(27(28)32)22-12-4-3-5-13-22/h3-9,12-17,23-24H,10-11,18-21H2,1-2H3
InChIKeyDRTSYEYQTLSISP-UHFFFAOYSA-N
MW427.59 g/mol
LogP4.90
Rot. Bonds5

About 3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one

3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one (PubChem CID 20978616) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is 3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one.

Molecular Properties

Compound Name3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one
PubChem CID20978616
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC Name3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one
SMILESCN1CCC=CC1CC1(CC2C=CCCN2C)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H33N3O/c1-29-18-10-8-14-23(29)20-28(21-24-15-9-11-19-30(24)2)25-16-6-7-17-26(25)31(27(28)32)22-12-4-3-5-13-22/h3-9,12-17,23-24H,10-11,18-21H2,1-2H3
InChIKeyDRTSYEYQTLSISP-UHFFFAOYSA-N
XLogP4.90
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one?
The IUPAC name of 3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one (CID 20978616) is 3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one.
What is the SMILES notation for 3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one?
The canonical SMILES for 3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one is CN1CCC=CC1CC1(CC2C=CCCN2C)C(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of 3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one?
The InChIKey is DRTSYEYQTLSISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-29-18-10-8-14-23(29)20-28(21-24-15-9-11-19-30(24)2)25-16-6-7-17-26(25)31(27(28)32)22-12-4-3-5-13-22/h3-9,12-17,23-24H,10-11,18-21H2,1-2H3.
What are the key properties of 3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one?
3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one has a molecular weight of 427.59 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methyl]-1-phenylindol-2-one is sourced from PubChem (CID 20978616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).