2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide

C12H16Cl2N2O2 — CID 107851393

IUPAC2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
SMILESO=C(NCCCCCCO)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c13-10-6-5-9(11(14)16-10)12(18)15-7-3-1-2-4-8-17/h5-6,17H,1-4,7-8H2,(H,15,18)
InChIKeyIGOBMRQWIDDGRG-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.67
Rot. Bonds7

About 2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide

2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide (PubChem CID 107851393) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
PubChem CID107851393
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
SMILESO=C(NCCCCCCO)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c13-10-6-5-9(11(14)16-10)12(18)15-7-3-1-2-4-8-17/h5-6,17H,1-4,7-8H2,(H,15,18)
InChIKeyIGOBMRQWIDDGRG-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

N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
CID 106993576
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
CID 106993547
N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide
CID 66546115
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate
CID 155072068
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide (CID 107851393) is 2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide is O=C(NCCCCCCO)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide?
The InChIKey is IGOBMRQWIDDGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c13-10-6-5-9(11(14)16-10)12(18)15-7-3-1-2-4-8-17/h5-6,17H,1-4,7-8H2,(H,15,18).
What are the key properties of 2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide?
2,6-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 2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 107851393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).