(2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide

C12H17BrN2O3 — CID 129406940

IUPAC(2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide
SMILESCCC[C@](C)(O)C(=O)Nc1cc(Br)nc(OC)c1
InChIInChI=1S/C12H17BrN2O3/c1-4-5-12(2,17)11(16)14-8-6-9(13)15-10(7-8)18-3/h6-7,17H,4-5H2,1-3H3,(H,14,15,16)/t12-/m0/s1
InChIKeyZNVFXRPZWCHGGV-LBPRGKRZSA-N
MW317.18 g/mol
LogP2.34
Rot. Bonds5

About (2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide

(2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide (PubChem CID 129406940) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is (2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide
PubChem CID129406940
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name(2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide
SMILESCCC[C@](C)(O)C(=O)Nc1cc(Br)nc(OC)c1
InChIInChI=1S/C12H17BrN2O3/c1-4-5-12(2,17)11(16)14-8-6-9(13)15-10(7-8)18-3/h6-7,17H,4-5H2,1-3H3,(H,14,15,16)/t12-/m0/s1
InChIKeyZNVFXRPZWCHGGV-LBPRGKRZSA-N
XLogP2.34
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide
CID 71558084
(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
CID 124640256
N-(4,6-dimethoxypyrimidin-2-yl)-2-hydroxy-2-methylpropanamide
CID 107626294
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate
CID 115355512
(2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide
CID 129406934
methyl 2-(2-bromo-6-methoxy-4-pyridinyl)acetate
CID 133098117
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 115355171
(2R)-3-bromo-N-(4-cyano-3-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 167451822
2-[[(2-bromo-6-methoxy-4-pyridinyl)amino]methyl]-6-fluorophenol
CID 53250116

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
The IUPAC name of (2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide (CID 129406940) is (2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide.
What is the SMILES notation for (2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
The canonical SMILES for (2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide is CCC[C@](C)(O)C(=O)Nc1cc(Br)nc(OC)c1.
What is the InChIKey of (2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
The InChIKey is ZNVFXRPZWCHGGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-4-5-12(2,17)11(16)14-8-6-9(13)15-10(7-8)18-3/h6-7,17H,4-5H2,1-3H3,(H,14,15,16)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
(2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide has a molecular weight of 317.18 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide is sourced from PubChem (CID 129406940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).