N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide

C14H19Cl2N3O3 — CID 66546115

IUPACN'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)nc1Cl)NCCCCCCO
InChIInChI=1S/C14H19Cl2N3O3/c15-11-6-5-10(14(16)19-11)18-13(22)9-12(21)17-7-3-1-2-4-8-20/h5-6,20H,1-4,7-9H2,(H,17,21)(H,18,22)
InChIKeySTXKDNPRUXEIHF-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.39
Rot. Bonds9

About N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide

N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide (PubChem CID 66546115) has the molecular formula C14H19Cl2N3O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide
PubChem CID66546115
Molecular FormulaC14H19Cl2N3O3
Molecular Weight348.23 g/mol
Exact Mass347.08
IUPAC NameN'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)nc1Cl)NCCCCCCO
InChIInChI=1S/C14H19Cl2N3O3/c15-11-6-5-10(14(16)19-11)18-13(22)9-12(21)17-7-3-1-2-4-8-20/h5-6,20H,1-4,7-9H2,(H,17,21)(H,18,22)
InChIKeySTXKDNPRUXEIHF-UHFFFAOYSA-N
XLogP2.39
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
N-(2,6-dichloro-3-pyridinyl)-N'-(2-hydroxyethyl)-N'-methylpropanediamide
CID 66548806
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
N',N'-bis(2-chloroethyl)-N-(2,6-dichloro-3-pyridinyl)propanediamide
CID 66546303
2-[2-[(2,6-dichloro-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2782101
N-(2,6-dichloro-3-pyridinyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 142710223
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944302
N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
CID 124624749
N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
CID 106993576
N-(2,6-dichloro-3-pyridinyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropanediamide
CID 66546122
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide?
The IUPAC name of N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide (CID 66546115) is N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide.
What is the SMILES notation for N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide?
The canonical SMILES for N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide is O=C(CC(=O)Nc1ccc(Cl)nc1Cl)NCCCCCCO.
What is the InChIKey of N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide?
The InChIKey is STXKDNPRUXEIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3/c15-11-6-5-10(14(16)19-11)18-13(22)9-12(21)17-7-3-1-2-4-8-20/h5-6,20H,1-4,7-9H2,(H,17,21)(H,18,22).
What are the key properties of N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide?
N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide has a molecular weight of 348.23 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichloro-3-pyridinyl)-N-(6-hydroxyhexyl)propanediamide is sourced from PubChem (CID 66546115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).