3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide

C24H28N4O4 — CID 122448424

IUPAC3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C(=O)N=O)cc2c1c(C)cn2C(C)C
InChIInChI=1S/C24H28N4O4/c1-6-7-16-8-15(5)26-24(31)19(16)11-25-23(30)18-9-17(22(29)27-32)10-20-21(18)14(4)12-28(20)13(2)3/h8-10,12-13H,6-7,11H2,1-5H3,(H,25,30)(H,26,31)
InChIKeyZAWMDWSSGUJGDX-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.32
Rot. Bonds7

About 3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide

3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide (PubChem CID 122448424) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide.

Molecular Properties

Compound Name3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide
PubChem CID122448424
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C(=O)N=O)cc2c1c(C)cn2C(C)C
InChIInChI=1S/C24H28N4O4/c1-6-7-16-8-15(5)26-24(31)19(16)11-25-23(30)18-9-17(22(29)27-32)10-20-21(18)14(4)12-28(20)13(2)3/h8-10,12-13H,6-7,11H2,1-5H3,(H,25,30)(H,26,31)
InChIKeyZAWMDWSSGUJGDX-UHFFFAOYSA-N
XLogP4.32
TPSA113.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide?
The IUPAC name of 3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide (CID 122448424) is 3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide.
What is the SMILES notation for 3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide?
The canonical SMILES for 3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C(=O)N=O)cc2c1c(C)cn2C(C)C.
What is the InChIKey of 3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide?
The InChIKey is ZAWMDWSSGUJGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-6-7-16-8-15(5)26-24(31)19(16)11-25-23(30)18-9-17(22(29)27-32)10-20-21(18)14(4)12-28(20)13(2)3/h8-10,12-13H,6-7,11H2,1-5H3,(H,25,30)(H,26,31).
What are the key properties of 3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide?
3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide is sourced from PubChem (CID 122448424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).