2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

C25H33N3O4 — CID 10225219

IUPAC2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCc1cc(COc2ccc(C3(C)CCN(C(CC(C)C)C(=O)NO)C3=O)cc2)cc(C)n1
InChIInChI=1S/C25H33N3O4/c1-16(2)12-22(23(29)27-31)28-11-10-25(5,24(28)30)20-6-8-21(9-7-20)32-15-19-13-17(3)26-18(4)14-19/h6-9,13-14,16,22,31H,10-12,15H2,1-5H3,(H,27,29)
InChIKeyCSYLIIAZMUUONI-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.69
Rot. Bonds8

About 2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (PubChem CID 10225219) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
PubChem CID10225219
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCc1cc(COc2ccc(C3(C)CCN(C(CC(C)C)C(=O)NO)C3=O)cc2)cc(C)n1
InChIInChI=1S/C25H33N3O4/c1-16(2)12-22(23(29)27-31)28-11-10-25(5,24(28)30)20-6-8-21(9-7-20)32-15-19-13-17(3)26-18(4)14-19/h6-9,13-14,16,22,31H,10-12,15H2,1-5H3,(H,27,29)
InChIKeyCSYLIIAZMUUONI-UHFFFAOYSA-N
XLogP3.69
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamic acid
CID 18789361
2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10160295
tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid
CID 23001604
2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10165199
(2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10950008
N-[3-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamate
CID 22456100
N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide
CID 23001577
N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CID 10112389
2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide
CID 23001669
N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide
CID 10138922
prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate
CID 21347932

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The IUPAC name of 2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (CID 10225219) is 2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for 2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for 2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is Cc1cc(COc2ccc(C3(C)CCN(C(CC(C)C)C(=O)NO)C3=O)cc2)cc(C)n1.
What is the InChIKey of 2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The InChIKey is CSYLIIAZMUUONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-16(2)12-22(23(29)27-31)28-11-10-25(5,24(28)30)20-6-8-21(9-7-20)32-15-19-13-17(3)26-18(4)14-19/h6-9,13-14,16,22,31H,10-12,15H2,1-5H3,(H,27,29).
What are the key properties of 2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide has a molecular weight of 439.56 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 10225219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).