2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide

C26H34N4O4 — CID 23001669

IUPAC2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide
SMILESCc1cc(COc2ccc(C3(N)CCN(C(C(=O)NO)C4CCCCC4)C3=O)cc2)cc(C)n1
InChIInChI=1S/C26H34N4O4/c1-17-14-19(15-18(2)28-17)16-34-22-10-8-21(9-11-22)26(27)12-13-30(25(26)32)23(24(31)29-33)20-6-4-3-5-7-20/h8-11,14-15,20,23,33H,3-7,12-13,16,27H2,1-2H3,(H,29,31)
InChIKeyASZWCRQMJAFOIG-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.12
Rot. Bonds7

About 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide

2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide (PubChem CID 23001669) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide
PubChem CID23001669
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide
SMILESCc1cc(COc2ccc(C3(N)CCN(C(C(=O)NO)C4CCCCC4)C3=O)cc2)cc(C)n1
InChIInChI=1S/C26H34N4O4/c1-17-14-19(15-18(2)28-17)16-34-22-10-8-21(9-11-22)26(27)12-13-30(25(26)32)23(24(31)29-33)20-6-4-3-5-7-20/h8-11,14-15,20,23,33H,3-7,12-13,16,27H2,1-2H3,(H,29,31)
InChIKeyASZWCRQMJAFOIG-UHFFFAOYSA-N
XLogP3.12
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.12
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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Related Compounds

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
2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10225219
2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide
CID 10480114
[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamic acid
CID 18789361
(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 90668112
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
2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 11455368
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
2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10389612
(2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10950008

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide?
The IUPAC name of 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide (CID 23001669) is 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide.
What is the SMILES notation for 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide?
The canonical SMILES for 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide is Cc1cc(COc2ccc(C3(N)CCN(C(C(=O)NO)C4CCCCC4)C3=O)cc2)cc(C)n1.
What is the InChIKey of 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide?
The InChIKey is ASZWCRQMJAFOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-17-14-19(15-18(2)28-17)16-34-22-10-8-21(9-11-22)26(27)12-13-30(25(26)32)23(24(31)29-33)20-6-4-3-5-7-20/h8-11,14-15,20,23,33H,3-7,12-13,16,27H2,1-2H3,(H,29,31).
What are the key properties of 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide?
2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide has a molecular weight of 466.58 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide is sourced from PubChem (CID 23001669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).