N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide

C13H19BrN2O2 — CID 71558084

IUPACN-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide
SMILESCCCCCC(C)(O)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-3-4-5-7-13(2,18)12(17)16-10-6-8-15-11(14)9-10/h6,8-9,18H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyHZJPMCABHPZOBG-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.11
Rot. Bonds6

About N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide

N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide (PubChem CID 71558084) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide
PubChem CID71558084
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide
SMILESCCCCCC(C)(O)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-3-4-5-7-13(2,18)12(17)16-10-6-8-15-11(14)9-10/h6,8-9,18H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyHZJPMCABHPZOBG-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
CID 124640256
(2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide
CID 129406934
1-(2-bromo-4-pyridinyl)-3-ethylurea
CID 130673791
2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide
CID 138567048
(2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide
CID 129406940
N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
CID 130752361
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024637
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-9-heptylsulfinyl-2-hydroxy-2-methylnonanamide
CID 69225344
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-11-pentylsulfonylundecanamide
CID 71103508
2,2-dibromo-N-phenylnonanamide
CID 59766487

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide (CID 71558084) is N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide is CCCCCC(C)(O)C(=O)Nc1ccnc(Br)c1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide?
The InChIKey is HZJPMCABHPZOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-4-5-7-13(2,18)12(17)16-10-6-8-15-11(14)9-10/h6,8-9,18H,3-5,7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide?
N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide has a molecular weight of 315.21 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide is sourced from PubChem (CID 71558084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).