6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide

C12H17FN2O — CID 63972005

IUPAC6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)C(C)N(C)C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H17FN2O/c1-8(2)9(3)15(4)12(16)10-5-6-11(13)14-7-10/h5-9H,1-4H3
InChIKeyNLKAWNIUHVZZOG-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.34
Rot. Bonds3

About 6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide

6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 63972005) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID63972005
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)C(C)N(C)C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H17FN2O/c1-8(2)9(3)15(4)12(16)10-5-6-11(13)14-7-10/h5-9H,1-4H3
InChIKeyNLKAWNIUHVZZOG-UHFFFAOYSA-N
XLogP2.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide (CID 63972005) is 6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide is CC(C)C(C)N(C)C(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is NLKAWNIUHVZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(2)9(3)15(4)12(16)10-5-6-11(13)14-7-10/h5-9H,1-4H3.
What are the key properties of 6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide?
6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 224.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63972005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).