N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide

C20H23N3O5S — CID 90116303

IUPACN-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
SMILESCc1cc2cc(-c3ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)ccc2[nH]1
InChIInChI=1S/C20H23N3O5S/c1-13-10-16-11-14(4-5-17(16)21-13)15-6-8-23(18(24)12-15)9-7-20(2,19(25)22-26)29(3,27)28/h4-6,8,10-12,21,26H,7,9H2,1-3H3,(H,22,25)
InChIKeyROBVKEXXUDBQEP-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.00
Rot. Bonds6

About N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide

N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide (PubChem CID 90116303) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
PubChem CID90116303
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
SMILESCc1cc2cc(-c3ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)ccc2[nH]1
InChIInChI=1S/C20H23N3O5S/c1-13-10-16-11-14(4-5-17(16)21-13)15-6-8-23(18(24)12-15)9-7-20(2,19(25)22-26)29(3,27)28/h4-6,8,10-12,21,26H,7,9H2,1-3H3,(H,22,25)
InChIKeyROBVKEXXUDBQEP-UHFFFAOYSA-N
XLogP2.00
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide (CID 90116303) is N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide is Cc1cc2cc(-c3ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)ccc2[nH]1.
What is the InChIKey of N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The InChIKey is ROBVKEXXUDBQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13-10-16-11-14(4-5-17(16)21-13)15-6-8-23(18(24)12-15)9-7-20(2,19(25)22-26)29(3,27)28/h4-6,8,10-12,21,26H,7,9H2,1-3H3,(H,22,25).
What are the key properties of N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide has a molecular weight of 417.49 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).