N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide

C12H15FN2O2 — CID 87068895

IUPACN-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)c(C=O)cc1F
InChIInChI=1S/C12H15FN2O2/c1-7-9(13)5-8(6-16)10(14-7)15-11(17)12(2,3)4/h5-6H,1-4H3,(H,14,15,17)
InChIKeyQAAVSURCBQLIOC-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.33
Rot. Bonds2

About N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide

N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 87068895) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID87068895
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)c(C=O)cc1F
InChIInChI=1S/C12H15FN2O2/c1-7-9(13)5-8(6-16)10(14-7)15-11(17)12(2,3)4/h5-6H,1-4H3,(H,14,15,17)
InChIKeyQAAVSURCBQLIOC-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide (CID 87068895) is N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide is Cc1nc(NC(=O)C(C)(C)C)c(C=O)cc1F.
What is the InChIKey of N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is QAAVSURCBQLIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7-9(13)5-8(6-16)10(14-7)15-11(17)12(2,3)4/h5-6H,1-4H3,(H,14,15,17).
What are the key properties of N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 238.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 87068895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).