N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide

C15H23BrN2O2 — CID 71557751

IUPACN-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide
SMILESCCCCC(O)(CCCC)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-3-5-8-15(20,9-6-4-2)14(19)18-12-7-10-17-13(16)11-12/h7,10-11,20H,3-6,8-9H2,1-2H3,(H,17,18,19)
InChIKeyOOBVDQZRYLPKGL-UHFFFAOYSA-N
MW343.26 g/mol
LogP3.89
Rot. Bonds8

About N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide

N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide (PubChem CID 71557751) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide
PubChem CID71557751
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC NameN-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide
SMILESCCCCC(O)(CCCC)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-3-5-8-15(20,9-6-4-2)14(19)18-12-7-10-17-13(16)11-12/h7,10-11,20H,3-6,8-9H2,1-2H3,(H,17,18,19)
InChIKeyOOBVDQZRYLPKGL-UHFFFAOYSA-N
XLogP3.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-pyridinyl)dodecanamide
CID 118730976
N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide
CID 71557103
N-(2-Bromo-pyridin-4-yl)-2-hydroxy-2-phenyl-propionamide
CID 71558082
N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide
CID 71558240
N-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-hydroxybutanamide
CID 71558391
2-hydroxy-2-methyl-N-[2-(trifluoromethyl)pyridin-4-yl]pentanamide
CID 71558395
(2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide
CID 58860946
(2S)-4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide
CID 58860952
2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide
CID 58860956
(2S)-2-hydroxy-2-methyl-4-(4-methylphenyl)-N-pyridin-4-ylbutanamide
CID 58860957
4-(4-acetamidophenyl)-2-hydroxy-2-methyl-N-pyridin-4-ylbutanamide
CID 58860963
(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium
CID 58860972

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide (CID 71557751) is N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide is CCCCC(O)(CCCC)C(=O)Nc1ccnc(Br)c1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide?
The InChIKey is OOBVDQZRYLPKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-3-5-8-15(20,9-6-4-2)14(19)18-12-7-10-17-13(16)11-12/h7,10-11,20H,3-6,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide?
N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide has a molecular weight of 343.26 g/mol, XLogP of 3.89, 8 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-butyl-2-hydroxyhexanamide is sourced from PubChem (CID 71557751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).