6-(4-tert-butylphenyl)pyridine-2-carboxamide

C16H18N2O — CID 22557494

IUPAC6-(4-tert-butylphenyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2cccc(C(N)=O)n2)cc1
InChIInChI=1S/C16H18N2O/c1-16(2,3)12-9-7-11(8-10-12)13-5-4-6-14(18-13)15(17)19/h4-10H,1-3H3,(H2,17,19)
InChIKeyHRFMUXRVAOOKPB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.14
Rot. Bonds2

About 6-(4-tert-butylphenyl)pyridine-2-carboxamide

6-(4-tert-butylphenyl)pyridine-2-carboxamide (PubChem CID 22557494) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)pyridine-2-carboxamide
PubChem CID22557494
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name6-(4-tert-butylphenyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2cccc(C(N)=O)n2)cc1
InChIInChI=1S/C16H18N2O/c1-16(2,3)12-9-7-11(8-10-12)13-5-4-6-14(18-13)15(17)19/h4-10H,1-3H3,(H2,17,19)
InChIKeyHRFMUXRVAOOKPB-UHFFFAOYSA-N
XLogP3.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-tert-butylphenyl)pyridine-2-carboxamide (CID 22557494) is 6-(4-tert-butylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-tert-butylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-tert-butylphenyl)pyridine-2-carboxamide is CC(C)(C)c1ccc(-c2cccc(C(N)=O)n2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)pyridine-2-carboxamide?
The InChIKey is HRFMUXRVAOOKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2,3)12-9-7-11(8-10-12)13-5-4-6-14(18-13)15(17)19/h4-10H,1-3H3,(H2,17,19).
What are the key properties of 6-(4-tert-butylphenyl)pyridine-2-carboxamide?
6-(4-tert-butylphenyl)pyridine-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 22557494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).