2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide

C14H15Cl2N3O — CID 61215479

IUPAC2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc(Cl)c1)C1(C#N)CCCCC1
InChIInChI=1S/C14H15Cl2N3O/c1-19(14(9-17)5-3-2-4-6-14)13(20)10-7-11(15)18-12(16)8-10/h7-8H,2-6H2,1H3
InChIKeyRIKWJERNZGLIDF-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.69
Rot. Bonds2

About 2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide

2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide (PubChem CID 61215479) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide
PubChem CID61215479
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc(Cl)c1)C1(C#N)CCCCC1
InChIInChI=1S/C14H15Cl2N3O/c1-19(14(9-17)5-3-2-4-6-14)13(20)10-7-11(15)18-12(16)8-10/h7-8H,2-6H2,1H3
InChIKeyRIKWJERNZGLIDF-UHFFFAOYSA-N
XLogP3.69
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide (CID 61215479) is 2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1cc(Cl)nc(Cl)c1)C1(C#N)CCCCC1.
What is the InChIKey of 2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide?
The InChIKey is RIKWJERNZGLIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-19(14(9-17)5-3-2-4-6-14)13(20)10-7-11(15)18-12(16)8-10/h7-8H,2-6H2,1H3.
What are the key properties of 2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide?
2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide has a molecular weight of 312.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 61215479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).