N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide

C10H14N2O2 — CID 28829493

IUPACN-tert-butyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H14N2O2/c1-10(2,3)12-9(14)7-4-5-8(13)11-6-7/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKeyVUBGFEHZBQHMII-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.90
Rot. Bonds1

About N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide

N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 28829493) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID28829493
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-tert-butyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H14N2O2/c1-10(2,3)12-9(14)7-4-5-8(13)11-6-7/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKeyVUBGFEHZBQHMII-UHFFFAOYSA-N
XLogP0.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide (CID 28829493) is N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VUBGFEHZBQHMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,3)12-9(14)7-4-5-8(13)11-6-7/h4-6H,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide?
N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 194.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 28829493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).