2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide

C14H20Cl2N2O — CID 114917844

IUPAC2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-13(2,3)8-14(4,5)18-12(19)9-6-11(16)17-7-10(9)15/h6-7H,8H2,1-5H3,(H,18,19)
InChIKeyDTOYVOZPTXTROJ-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.33
Rot. Bonds3

About 2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide

2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide (PubChem CID 114917844) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide
PubChem CID114917844
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-13(2,3)8-14(4,5)18-12(19)9-6-11(16)17-7-10(9)15/h6-7H,8H2,1-5H3,(H,18,19)
InChIKeyDTOYVOZPTXTROJ-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide (CID 114917844) is 2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide is CC(C)(C)CC(C)(C)NC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide?
The InChIKey is DTOYVOZPTXTROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-13(2,3)8-14(4,5)18-12(19)9-6-11(16)17-7-10(9)15/h6-7H,8H2,1-5H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide?
2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114917844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).