2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide

C16H17ClN2O — CID 150434050

IUPAC2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(N)=O)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H17ClN2O/c1-16(2,3)14-9-11(15(18)20)8-13(19-14)10-4-6-12(17)7-5-10/h4-9H,1-3H3,(H2,18,20)
InChIKeyHKJNWZXLVVVKQV-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.80
Rot. Bonds2

About 2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide

2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide (PubChem CID 150434050) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide
PubChem CID150434050
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(N)=O)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H17ClN2O/c1-16(2,3)14-9-11(15(18)20)8-13(19-14)10-4-6-12(17)7-5-10/h4-9H,1-3H3,(H2,18,20)
InChIKeyHKJNWZXLVVVKQV-UHFFFAOYSA-N
XLogP3.80
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide (CID 150434050) is 2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide is CC(C)(C)c1cc(C(N)=O)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide?
The InChIKey is HKJNWZXLVVVKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-16(2,3)14-9-11(15(18)20)8-13(19-14)10-4-6-12(17)7-5-10/h4-9H,1-3H3,(H2,18,20).
What are the key properties of 2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide?
2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 150434050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).