5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide

C11H11Cl2N3O — CID 63284447

IUPAC5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide
SMILESN#CCCCCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3O/c12-9-6-8(7-16-10(9)13)11(17)15-5-3-1-2-4-14/h6-7H,1-3,5H2,(H,15,17)
InChIKeyMYXOFTRPTGLYAQ-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.81
Rot. Bonds5

About 5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide

5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide (PubChem CID 63284447) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide
PubChem CID63284447
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide
SMILESN#CCCCCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3O/c12-9-6-8(7-16-10(9)13)11(17)15-5-3-1-2-4-14/h6-7H,1-3,5H2,(H,15,17)
InChIKeyMYXOFTRPTGLYAQ-UHFFFAOYSA-N
XLogP2.81
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.81
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-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115491613
5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
4-chloro-N-(4-cyanobutyl)-3-fluorobenzamide
CID 113343444
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
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
5,6-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64547910
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide (CID 63284447) is 5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide is N#CCCCCNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide?
The InChIKey is MYXOFTRPTGLYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-9-6-8(7-16-10(9)13)11(17)15-5-3-1-2-4-14/h6-7H,1-3,5H2,(H,15,17).
What are the key properties of 5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide?
5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide has a molecular weight of 272.13 g/mol, XLogP of 2.81, 5 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-cyanobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 63284447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).