5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide

C13H18Cl2N2O2 — CID 113382032

IUPAC5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
SMILESCC(C)OCCCCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-9(2)19-6-4-3-5-16-13(18)10-7-11(14)12(15)17-8-10/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKeyFRDSREMYKOSDHV-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.32
Rot. Bonds7

About 5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide

5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide (PubChem CID 113382032) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
PubChem CID113382032
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
SMILESCC(C)OCCCCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-9(2)19-6-4-3-5-16-13(18)10-7-11(14)12(15)17-8-10/h7-9H,3-6H2,1-2H3,(H,16,18)
InChIKeyFRDSREMYKOSDHV-UHFFFAOYSA-N
XLogP3.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
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-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide
CID 63284447
5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 114034196
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115491613
5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 115590920
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
CID 114918195
5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 78904618

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide (CID 113382032) is 5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide is CC(C)OCCCCNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
The InChIKey is FRDSREMYKOSDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-9(2)19-6-4-3-5-16-13(18)10-7-11(14)12(15)17-8-10/h7-9H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide has a molecular weight of 305.20 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide is sourced from PubChem (CID 113382032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).