(2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide

C13H19N3O3 — CID 6539652

IUPAC(2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC(=O)N(Cc1cccnc1)[C@@H](C(=O)NO)C(C)C
InChIInChI=1S/C13H19N3O3/c1-9(2)12(13(18)15-19)16(10(3)17)8-11-5-4-6-14-7-11/h4-7,9,12,19H,8H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyAPTNUZYVCKRPOV-GFCCVEGCSA-N
MW265.31 g/mol
LogP0.96
Rot. Bonds5

About (2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide

(2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide (PubChem CID 6539652) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
PubChem CID6539652
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC(=O)N(Cc1cccnc1)[C@@H](C(=O)NO)C(C)C
InChIInChI=1S/C13H19N3O3/c1-9(2)12(13(18)15-19)16(10(3)17)8-11-5-4-6-14-7-11/h4-7,9,12,19H,8H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyAPTNUZYVCKRPOV-GFCCVEGCSA-N
XLogP0.96
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide (CID 6539652) is (2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide is CC(=O)N(Cc1cccnc1)[C@@H](C(=O)NO)C(C)C.
What is the InChIKey of (2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is APTNUZYVCKRPOV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)12(13(18)15-19)16(10(3)17)8-11-5-4-6-14-7-11/h4-7,9,12,19H,8H2,1-3H3,(H,15,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 265.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[acetyl(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 6539652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).