(2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide

C24H32N4O5 — CID 10599902

IUPAC(2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C24H32N4O5/c1-16(2)13-19(15-22(30)28-33)23(31)27-21(14-18-7-10-25-11-8-18)24(32)26-12-9-17-3-5-20(29)6-4-17/h3-8,10-11,16,19,21,29,33H,9,12-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t19-,21+/m1/s1
InChIKeyLUZFASJCLDTWLF-CTNGQTDRSA-N
MW456.54 g/mol
LogP1.73
Rot. Bonds12

About (2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide

(2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide (PubChem CID 10599902) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is (2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide
PubChem CID10599902
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name(2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C24H32N4O5/c1-16(2)13-19(15-22(30)28-33)23(31)27-21(14-18-7-10-25-11-8-18)24(32)26-12-9-17-3-5-20(29)6-4-17/h3-8,10-11,16,19,21,29,33H,9,12-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t19-,21+/m1/s1
InChIKeyLUZFASJCLDTWLF-CTNGQTDRSA-N
XLogP1.73
TPSA140.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.73
H-Bond Donors ≤ 55
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

N'-hydroxy-N-[(2S)-1-(methylamino)-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 143203076
(2R)-N-[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 24850919
(2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 73214073
(2R)-N-[(2S)-1-(benzylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 87854627
methyl (3R)-3-[[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-5-methylhexanoate
CID 10505330
N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 87854664
4-hydroxy-N-[2-[[1-[[1-[[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
CID 67628230
N-[1-[[1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 75641285
(2R)-N'-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-(octanoylamino)butanediamide
CID 162387272
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
(2R)-N-[(2S)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10624005
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide?
The IUPAC name of (2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide (CID 10599902) is (2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide?
The canonical SMILES for (2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide is CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of (2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide?
The InChIKey is LUZFASJCLDTWLF-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-16(2)13-19(15-22(30)28-33)23(31)27-21(14-18-7-10-25-11-8-18)24(32)26-12-9-17-3-5-20(29)6-4-17/h3-8,10-11,16,19,21,29,33H,9,12-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t19-,21+/m1/s1.
What are the key properties of (2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide?
(2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide has a molecular weight of 456.54 g/mol, XLogP of 1.73, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 10599902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).