N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide

C12H18FN3O — CID 115646224

IUPACN-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1ccncc1F
InChIInChI=1S/C12H18FN3O/c1-12(2,16(3)4)8-15-11(17)9-5-6-14-7-10(9)13/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyIABVCAYTBGDSFK-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.29
Rot. Bonds4

About N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide

N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide (PubChem CID 115646224) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
PubChem CID115646224
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1ccncc1F
InChIInChI=1S/C12H18FN3O/c1-12(2,16(3)4)8-15-11(17)9-5-6-14-7-10(9)13/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyIABVCAYTBGDSFK-UHFFFAOYSA-N
XLogP1.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide
CID 105069666
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
N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide
CID 62660764
3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115646483
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
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide (CID 115646224) is N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide is CN(C)C(C)(C)CNC(=O)c1ccncc1F.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is IABVCAYTBGDSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-12(2,16(3)4)8-15-11(17)9-5-6-14-7-10(9)13/h5-7H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide?
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 239.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115646224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).