N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide

C12H16N2O2 — CID 856904

IUPACN-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1ccncc1
InChIInChI=1S/C12H16N2O2/c1-12(2,3)10(15)8-14-11(16)9-4-6-13-7-5-9/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyMDCOHVILYBVYIY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.43
Rot. Bonds3

About N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide

N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide (PubChem CID 856904) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide
PubChem CID856904
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1ccncc1
InChIInChI=1S/C12H16N2O2/c1-12(2,3)10(15)8-14-11(16)9-4-6-13-7-5-9/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyMDCOHVILYBVYIY-UHFFFAOYSA-N
XLogP1.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884
N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 58188881
N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
CID 64992078
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
CID 64991887
N-[2-(2,4-dimethylpentan-2-ylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 129231902
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
CID 95740949
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
N-butylpyridine-4-carboxamide
CID 5030535
4-bromo-N-(3,3-dimethyl-2-oxobutyl)-3-methylbenzamide
CID 112706643
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-3-methylbenzamide
CID 64991928

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide (CID 856904) is N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide is CC(C)(C)C(=O)CNC(=O)c1ccncc1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide?
The InChIKey is MDCOHVILYBVYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,3)10(15)8-14-11(16)9-4-6-13-7-5-9/h4-7H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide?
N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 856904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).