6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine

C25H31N3O — CID 150474198

IUPAC6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine
SMILESCC1(C)CCc2c([nH]c(-c3ccncc3OC(C)(C)C)c2Nc2ccccc2)C1
InChIInChI=1S/C25H31N3O/c1-24(2,3)29-21-16-26-14-12-19(21)23-22(27-17-9-7-6-8-10-17)18-11-13-25(4,5)15-20(18)28-23/h6-10,12,14,16,27-28H,11,13,15H2,1-5H3
InChIKeyHSLDVFJMLHDDKC-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.51
Rot. Bonds4

About 6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine

6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine (PubChem CID 150474198) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine.

Molecular Properties

Compound Name6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine
PubChem CID150474198
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine
SMILESCC1(C)CCc2c([nH]c(-c3ccncc3OC(C)(C)C)c2Nc2ccccc2)C1
InChIInChI=1S/C25H31N3O/c1-24(2,3)29-21-16-26-14-12-19(21)23-22(27-17-9-7-6-8-10-17)18-11-13-25(4,5)15-20(18)28-23/h6-10,12,14,16,27-28H,11,13,15H2,1-5H3
InChIKeyHSLDVFJMLHDDKC-UHFFFAOYSA-N
XLogP6.51
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine?
The IUPAC name of 6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine (CID 150474198) is 6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine.
What is the SMILES notation for 6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine?
The canonical SMILES for 6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine is CC1(C)CCc2c([nH]c(-c3ccncc3OC(C)(C)C)c2Nc2ccccc2)C1.
What is the InChIKey of 6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine?
The InChIKey is HSLDVFJMLHDDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-24(2,3)29-21-16-26-14-12-19(21)23-22(27-17-9-7-6-8-10-17)18-11-13-25(4,5)15-20(18)28-23/h6-10,12,14,16,27-28H,11,13,15H2,1-5H3.
What are the key properties of 6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine?
6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine has a molecular weight of 389.54 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-N-phenyl-1,4,5,7-tetrahydroindol-3-amine is sourced from PubChem (CID 150474198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).