2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide

C18H22N2O — CID 826927

IUPAC2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-5-20(15-9-7-6-8-10-15)17(21)14-11-12-19-16(13-14)18(2,3)4/h6-13H,5H2,1-4H3
InChIKeyQNBISVSVGOLLCD-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.05
Rot. Bonds3

About 2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide

2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide (PubChem CID 826927) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide
PubChem CID826927
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-5-20(15-9-7-6-8-10-15)17(21)14-11-12-19-16(13-14)18(2,3)4/h6-13H,5H2,1-4H3
InChIKeyQNBISVSVGOLLCD-UHFFFAOYSA-N
XLogP4.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide (CID 826927) is 2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide is CCN(C(=O)c1ccnc(C(C)(C)C)c1)c1ccccc1.
What is the InChIKey of 2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide?
The InChIKey is QNBISVSVGOLLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-5-20(15-9-7-6-8-10-15)17(21)14-11-12-19-16(13-14)18(2,3)4/h6-13H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide?
2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 826927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).