3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide

C11H11Cl2N3O — CID 63284311

IUPAC3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
SMILESN#CCCCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2N3O/c12-8-4-5-9(13)16-10(8)11(17)15-7-3-1-2-6-14/h4-5H,1-3,7H2,(H,15,17)
InChIKeyKNUIUOKIKCDTRF-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.81
Rot. Bonds5

About 3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide

3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide (PubChem CID 63284311) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
PubChem CID63284311
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
SMILESN#CCCCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2N3O/c12-8-4-5-9(13)16-10(8)11(17)15-7-3-1-2-6-14/h4-5H,1-3,7H2,(H,15,17)
InChIKeyKNUIUOKIKCDTRF-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

3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284925
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
4-chloro-N-(4-cyanobutyl)-3-fluorobenzamide
CID 113343444
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide
CID 80645274

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide (CID 63284311) is 3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide is N#CCCCCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide?
The InChIKey is KNUIUOKIKCDTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-8-4-5-9(13)16-10(8)11(17)15-7-3-1-2-6-14/h4-5H,1-3,7H2,(H,15,17).
What are the key properties of 3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide?
3,6-dichloro-N-(4-cyanobutyl)pyridine-2-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 3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 63284311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).