5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide

C12H16Cl2N2O2 — CID 103918869

IUPAC5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
SMILESO=C(NCCCCCCO)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c13-10-7-9(8-16-11(10)14)12(18)15-5-3-1-2-4-6-17/h7-8,17H,1-6H2,(H,15,18)
InChIKeyASUJJBNJPOUJJL-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.67
Rot. Bonds7

About 5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide

5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide (PubChem CID 103918869) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
PubChem CID103918869
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
SMILESO=C(NCCCCCCO)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c13-10-7-9(8-16-11(10)14)12(18)15-5-3-1-2-4-6-17/h7-8,17H,1-6H2,(H,15,18)
InChIKeyASUJJBNJPOUJJL-UHFFFAOYSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.67
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

5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115491613
5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide
CID 63284447
5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
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
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
5,6-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64547910
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide (CID 103918869) is 5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide is O=C(NCCCCCCO)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide?
The InChIKey is ASUJJBNJPOUJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c13-10-7-9(8-16-11(10)14)12(18)15-5-3-1-2-4-6-17/h7-8,17H,1-6H2,(H,15,18).
What are the key properties of 5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide?
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 103918869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).