5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide

C11H14Cl2N2O2 — CID 115746097

IUPAC5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)C(O)CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-6(2)9(16)5-15-11(17)7-3-8(12)10(13)14-4-7/h3-4,6,9,16H,5H2,1-2H3,(H,15,17)
InChIKeyBYPUABPULMAETM-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.14
Rot. Bonds4

About 5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide

5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 115746097) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
PubChem CID115746097
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)C(O)CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-6(2)9(16)5-15-11(17)7-3-8(12)10(13)14-4-7/h3-4,6,9,16H,5H2,1-2H3,(H,15,17)
InChIKeyBYPUABPULMAETM-UHFFFAOYSA-N
XLogP2.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.14
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

5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82683416
5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 49167384
5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide
CID 55026773
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
5,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 61367940
N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
CID 47439184
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
CID 113226390

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 115746097) is 5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)C(O)CNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is BYPUABPULMAETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-6(2)9(16)5-15-11(17)7-3-8(12)10(13)14-4-7/h3-4,6,9,16H,5H2,1-2H3,(H,15,17).
What are the key properties of 5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 277.15 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 115746097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).