1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

C23H28N4O4S — CID 20901875

IUPAC1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)n4)CC3)cc2CC1C
InChIInChI=1S/C23H28N4O4S/c1-15-5-4-6-22(24-15)25-23(29)18-9-11-26(12-10-18)32(30,31)20-7-8-21-19(14-20)13-16(2)27(21)17(3)28/h4-8,14,16,18H,9-13H2,1-3H3,(H,24,25,29)
InChIKeyZPAYMUICEUBHNQ-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.73
Rot. Bonds4

About 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 20901875) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID20901875
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)n4)CC3)cc2CC1C
InChIInChI=1S/C23H28N4O4S/c1-15-5-4-6-22(24-15)25-23(29)18-9-11-26(12-10-18)32(30,31)20-7-8-21-19(14-20)13-16(2)27(21)17(3)28/h4-8,14,16,18H,9-13H2,1-3H3,(H,24,25,29)
InChIKeyZPAYMUICEUBHNQ-UHFFFAOYSA-N
XLogP2.73
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 20901875) is 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)n4)CC3)cc2CC1C.
What is the InChIKey of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is ZPAYMUICEUBHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-15-5-4-6-22(24-15)25-23(29)18-9-11-26(12-10-18)32(30,31)20-7-8-21-19(14-20)13-16(2)27(21)17(3)28/h4-8,14,16,18H,9-13H2,1-3H3,(H,24,25,29).
What are the key properties of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 20901875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).