N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide

C16H18N2O2 — CID 154985382

IUPACN-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]cc(-c2ccccc2)c1=O
InChIInChI=1S/C16H18N2O2/c1-16(2,3)18-15(20)13-10-17-9-12(14(13)19)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,19)(H,18,20)
InChIKeyMYNUTESJDYJHRZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.57
Rot. Bonds2

About N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide

N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide (PubChem CID 154985382) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide
PubChem CID154985382
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]cc(-c2ccccc2)c1=O
InChIInChI=1S/C16H18N2O2/c1-16(2,3)18-15(20)13-10-17-9-12(14(13)19)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,19)(H,18,20)
InChIKeyMYNUTESJDYJHRZ-UHFFFAOYSA-N
XLogP2.57
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide (CID 154985382) is N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide is CC(C)(C)NC(=O)c1c[nH]cc(-c2ccccc2)c1=O.
What is the InChIKey of N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is MYNUTESJDYJHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)18-15(20)13-10-17-9-12(14(13)19)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide?
N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-oxo-5-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 154985382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).