3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide

C11H15FN2O — CID 105066570

IUPAC3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
SMILESCCC(C)CNC(=O)c1ccncc1F
InChIInChI=1S/C11H15FN2O/c1-3-8(2)6-14-11(15)9-4-5-13-7-10(9)12/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyPFQBVRRAOIMAHB-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.00
Rot. Bonds4

About 3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide

3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide (PubChem CID 105066570) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
PubChem CID105066570
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
SMILESCCC(C)CNC(=O)c1ccncc1F
InChIInChI=1S/C11H15FN2O/c1-3-8(2)6-14-11(15)9-4-5-13-7-10(9)12/h4-5,7-8H,3,6H2,1-2H3,(H,14,15)
InChIKeyPFQBVRRAOIMAHB-UHFFFAOYSA-N
XLogP2.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 115646380
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate
CID 103492743
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
CID 119525380
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 115646316
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458220
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537
3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 115646395

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide (CID 105066570) is 3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide is CCC(C)CNC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide?
The InChIKey is PFQBVRRAOIMAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-8(2)6-14-11(15)9-4-5-13-7-10(9)12/h4-5,7-8H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide?
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide has a molecular weight of 210.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 105066570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).