3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one

C23H26N4O — CID 118606744

IUPAC3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
SMILESCN(C)c1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(C)(C)C3)ccn1
InChIInChI=1S/C23H26N4O/c1-23(2)13-17-20(18(28)14-23)22(25-16-8-6-5-7-9-16)21(26-17)15-10-11-24-19(12-15)27(3)4/h5-12,25-26H,13-14H2,1-4H3
InChIKeyJUBIIYSXVLIZTA-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.04
Rot. Bonds4

About 3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one

3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one (PubChem CID 118606744) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one.

Molecular Properties

Compound Name3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
PubChem CID118606744
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
SMILESCN(C)c1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(C)(C)C3)ccn1
InChIInChI=1S/C23H26N4O/c1-23(2)13-17-20(18(28)14-23)22(25-16-8-6-5-7-9-16)21(26-17)15-10-11-24-19(12-15)27(3)4/h5-12,25-26H,13-14H2,1-4H3
InChIKeyJUBIIYSXVLIZTA-UHFFFAOYSA-N
XLogP5.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
The IUPAC name of 3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one (CID 118606744) is 3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one.
What is the SMILES notation for 3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
The canonical SMILES for 3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one is CN(C)c1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(C)(C)C3)ccn1.
What is the InChIKey of 3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
The InChIKey is JUBIIYSXVLIZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(2)13-17-20(18(28)14-23)22(25-16-8-6-5-7-9-16)21(26-17)15-10-11-24-19(12-15)27(3)4/h5-12,25-26H,13-14H2,1-4H3.
What are the key properties of 3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one has a molecular weight of 374.49 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 118606744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).