2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

C20H21Cl2N3O4 — CID 10160295

IUPAC2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cc(Cl)nc(Cl)c3)cc2)C1=O
InChIInChI=1S/C20H21Cl2N3O4/c1-12(18(26)24-28)25-8-7-20(2,19(25)27)14-3-5-15(6-4-14)29-11-13-9-16(21)23-17(22)10-13/h3-6,9-10,12,28H,7-8,11H2,1-2H3,(H,24,26)
InChIKeyJFJNJERTEPWCHQ-UHFFFAOYSA-N
MW438.31 g/mol
LogP3.35
Rot. Bonds6

About 2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (PubChem CID 10160295) has the molecular formula C20H21Cl2N3O4 and a molecular weight of 438.31 g/mol. Its IUPAC name is 2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
PubChem CID10160295
Molecular FormulaC20H21Cl2N3O4
Molecular Weight438.31 g/mol
Exact Mass437.09
IUPAC Name2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cc(Cl)nc(Cl)c3)cc2)C1=O
InChIInChI=1S/C20H21Cl2N3O4/c1-12(18(26)24-28)25-8-7-20(2,19(25)27)14-3-5-15(6-4-14)29-11-13-9-16(21)23-17(22)10-13/h3-6,9-10,12,28H,7-8,11H2,1-2H3,(H,24,26)
InChIKeyJFJNJERTEPWCHQ-UHFFFAOYSA-N
XLogP3.35
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
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
2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10225219
N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CID 10112389
2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-2-oxo-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]-N-hydroxypropanamide
CID 22456049
N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide
CID 10138922
[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamic acid
CID 18789361
N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide
CID 23001577
N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 10179360
(2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 59117549

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The IUPAC name of 2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (CID 10160295) is 2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.
What is the SMILES notation for 2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The canonical SMILES for 2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is CC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cc(Cl)nc(Cl)c3)cc2)C1=O.
What is the InChIKey of 2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The InChIKey is JFJNJERTEPWCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4/c1-12(18(26)24-28)25-8-7-20(2,19(25)27)14-3-5-15(6-4-14)29-11-13-9-16(21)23-17(22)10-13/h3-6,9-10,12,28H,7-8,11H2,1-2H3,(H,24,26).
What are the key properties of 2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide has a molecular weight of 438.31 g/mol, XLogP of 3.35, 6 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-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is sourced from PubChem (CID 10160295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).