N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide

C11H15FN2O — CID 115646049

IUPACN-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
SMILESCC(C)(C)CNC(=O)c1ccncc1F
InChIInChI=1S/C11H15FN2O/c1-11(2,3)7-14-10(15)8-4-5-13-6-9(8)12/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyQDSLXIATLNTNEC-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.00
Rot. Bonds2

About N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide

N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide (PubChem CID 115646049) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
PubChem CID115646049
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
SMILESCC(C)(C)CNC(=O)c1ccncc1F
InChIInChI=1S/C11H15FN2O/c1-11(2,3)7-14-10(15)8-4-5-13-6-9(8)12/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyQDSLXIATLNTNEC-UHFFFAOYSA-N
XLogP2.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
CID 103825033
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537
N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
CID 115686817
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
CID 114383432
3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 75373199
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115646483

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide (CID 115646049) is N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide is CC(C)(C)CNC(=O)c1ccncc1F.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is QDSLXIATLNTNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-11(2,3)7-14-10(15)8-4-5-13-6-9(8)12/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide?
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 210.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115646049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).