N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide

C16H18N4O3 — CID 89048095

IUPACN-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide
SMILESC[C@@H](N)[C@H](NC(=O)c1ccc(-c2ccncc2)cc1)C(=O)NO
InChIInChI=1S/C16H18N4O3/c1-10(17)14(16(22)20-23)19-15(21)13-4-2-11(3-5-13)12-6-8-18-9-7-12/h2-10,14,23H,17H2,1H3,(H,19,21)(H,20,22)/t10-,14+/m1/s1
InChIKeyKVXROLBUKKWEMK-YGRLFVJLSA-N
MW314.35 g/mol
LogP0.70
Rot. Bonds5

About N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide

N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide (PubChem CID 89048095) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide
PubChem CID89048095
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide
SMILESC[C@@H](N)[C@H](NC(=O)c1ccc(-c2ccncc2)cc1)C(=O)NO
InChIInChI=1S/C16H18N4O3/c1-10(17)14(16(22)20-23)19-15(21)13-4-2-11(3-5-13)12-6-8-18-9-7-12/h2-10,14,23H,17H2,1H3,(H,19,21)(H,20,22)/t10-,14+/m1/s1
InChIKeyKVXROLBUKKWEMK-YGRLFVJLSA-N
XLogP0.70
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.70
H-Bond Donors ≤ 54
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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Related Compounds

N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide
CID 89048036
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-[(2-cyanoethylamino)methyl]phenyl]benzamide
CID 89048062
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diynyl]benzamide
CID 25165077
4-[2-[(2-aminoethylamino)methyl]phenyl]-N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 88873823
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 89047977
N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
CID 145391421
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide
CID 89072103
4-[4-(2-aminoethyl)phenyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 59698253
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-nitrophenyl)benzamide
CID 59698158
N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide
CID 67387222

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide (CID 89048095) is N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide is C[C@@H](N)[C@H](NC(=O)c1ccc(-c2ccncc2)cc1)C(=O)NO.
What is the InChIKey of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide?
The InChIKey is KVXROLBUKKWEMK-YGRLFVJLSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(17)14(16(22)20-23)19-15(21)13-4-2-11(3-5-13)12-6-8-18-9-7-12/h2-10,14,23H,17H2,1H3,(H,19,21)(H,20,22)/t10-,14+/m1/s1.
What are the key properties of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide?
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide has a molecular weight of 314.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 89048095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).