(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide

C26H33N5O4 — CID 10719476

IUPAC(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1
InChIInChI=1S/C26H33N5O4/c1-17(2)13-18(15-24(32)31-35)25(33)30-23(14-19-16-29-22-9-4-3-8-21(19)22)26(34)28-12-10-20-7-5-6-11-27-20/h3-9,11,16-18,23,29,35H,10,12-15H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t18-,23+/m1/s1
InChIKeyHYGHKRXESWZJHZ-JPYJTQIMSA-N
MW479.58 g/mol
LogP2.51
Rot. Bonds12

About (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide

(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide (PubChem CID 10719476) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide
PubChem CID10719476
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1
InChIInChI=1S/C26H33N5O4/c1-17(2)13-18(15-24(32)31-35)25(33)30-23(14-19-16-29-22-9-4-3-8-21(19)22)26(34)28-12-10-20-7-5-6-11-27-20/h3-9,11,16-18,23,29,35H,10,12-15H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t18-,23+/m1/s1
InChIKeyHYGHKRXESWZJHZ-JPYJTQIMSA-N
XLogP2.51
TPSA136.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.51
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide?
The IUPAC name of (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide (CID 10719476) is (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide?
The canonical SMILES for (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide is CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1.
What is the InChIKey of (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide?
The InChIKey is HYGHKRXESWZJHZ-JPYJTQIMSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-17(2)13-18(15-24(32)31-35)25(33)30-23(14-19-16-29-22-9-4-3-8-21(19)22)26(34)28-12-10-20-7-5-6-11-27-20/h3-9,11,16-18,23,29,35H,10,12-15H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t18-,23+/m1/s1.
What are the key properties of (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide?
(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide has a molecular weight of 479.58 g/mol, XLogP of 2.51, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 10719476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).