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

C27H27Cl2N5O5 — CID 22456049

IUPAC2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-2-oxo-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N1CCC(CC(=O)NCc2cccnc2)(c2ccc(OCc3cc(Cl)nc(Cl)c3)cc2)C1=O
InChIInChI=1S/C27H27Cl2N5O5/c1-17(25(36)33-38)34-10-8-27(26(34)37,13-24(35)31-15-18-3-2-9-30-14-18)20-4-6-21(7-5-20)39-16-19-11-22(28)32-23(29)12-19/h2-7,9,11-12,14,17,38H,8,10,13,15-16H2,1H3,(H,31,35)(H,33,36)
InChIKeyYBDPCYKWWSTUGH-UHFFFAOYSA-N
MW572.45 g/mol
LogP3.43
Rot. Bonds10

About 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

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 (PubChem CID 22456049) has the molecular formula C27H27Cl2N5O5 and a molecular weight of 572.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-2-oxo-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]-N-hydroxypropanamide
PubChem CID22456049
Molecular FormulaC27H27Cl2N5O5
Molecular Weight572.45 g/mol
Exact Mass571.14
IUPAC Name2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-2-oxo-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N1CCC(CC(=O)NCc2cccnc2)(c2ccc(OCc3cc(Cl)nc(Cl)c3)cc2)C1=O
InChIInChI=1S/C27H27Cl2N5O5/c1-17(25(36)33-38)34-10-8-27(26(34)37,13-24(35)31-15-18-3-2-9-30-14-18)20-4-6-21(7-5-20)39-16-19-11-22(28)32-23(29)12-19/h2-7,9,11-12,14,17,38H,8,10,13,15-16H2,1H3,(H,31,35)(H,33,36)
InChIKeyYBDPCYKWWSTUGH-UHFFFAOYSA-N
XLogP3.43
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.45
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10160295
2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidin-1-yl]-N-hydroxypropanamide
CID 22456123
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-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide
CID 11555315
2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 1446584
[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamic acid
CID 18789361
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46162299
N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 10179360
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 86990543

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C(=O)NO)N1CCC(CC(=O)NCc2cccnc2)(c2ccc(OCc3cc(Cl)nc(Cl)c3)cc2)C1=O.
What is the InChIKey of 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?
The InChIKey is YBDPCYKWWSTUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N5O5/c1-17(25(36)33-38)34-10-8-27(26(34)37,13-24(35)31-15-18-3-2-9-30-14-18)20-4-6-21(7-5-20)39-16-19-11-22(28)32-23(29)12-19/h2-7,9,11-12,14,17,38H,8,10,13,15-16H2,1H3,(H,31,35)(H,33,36).
What are the key properties of 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?
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 has a molecular weight of 572.45 g/mol, XLogP of 3.43, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22456049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).