6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide

C12H17FN2O — CID 63979148

IUPAC6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)CCN(C)C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H17FN2O/c1-9(2)6-7-15(3)12(16)10-4-5-11(13)14-8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyLUGYOHZHAFZNTB-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.34
Rot. Bonds4

About 6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide

6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 63979148) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID63979148
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)CCN(C)C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H17FN2O/c1-9(2)6-7-15(3)12(16)10-4-5-11(13)14-8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyLUGYOHZHAFZNTB-UHFFFAOYSA-N
XLogP2.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
N-[2-(dimethylamino)-2-oxoethyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 63971406
6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 63978971
6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 63972005
6-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 63971210
N-ethyl-6-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 63973149
2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid
CID 103804135
4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429258
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
6-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63979533
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide
CID 63980515

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide (CID 63979148) is 6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide is CC(C)CCN(C)C(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is LUGYOHZHAFZNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(2)6-7-15(3)12(16)10-4-5-11(13)14-8-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 224.28 g/mol, XLogP of 2.34, 4 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-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 63979148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).