2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide

C12H17FN2O — CID 107363082

IUPAC2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
SMILESCCC(C)CN(C)C(=O)c1cccnc1F
InChIInChI=1S/C12H17FN2O/c1-4-9(2)8-15(3)12(16)10-6-5-7-14-11(10)13/h5-7,9H,4,8H2,1-3H3
InChIKeyHPJBCZBUUWCUHS-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.34
Rot. Bonds4

About 2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide

2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide (PubChem CID 107363082) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
PubChem CID107363082
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
SMILESCCC(C)CN(C)C(=O)c1cccnc1F
InChIInChI=1S/C12H17FN2O/c1-4-9(2)8-15(3)12(16)10-6-5-7-14-11(10)13/h5-7,9H,4,8H2,1-3H3
InChIKeyHPJBCZBUUWCUHS-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

2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43296128
3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
N-methyl-4-(methylamino)-N-(2-methylbutyl)pyridine-3-carboxamide
CID 81236054
2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide
CID 113234175
2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120524125
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
2-[methyl(2-methylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055655

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide (CID 107363082) is 2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide is CCC(C)CN(C)C(=O)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide?
The InChIKey is HPJBCZBUUWCUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-4-9(2)8-15(3)12(16)10-6-5-7-14-11(10)13/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide?
2-fluoro-N-methyl-N-(2-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 2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 107363082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).