2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide

C12H18FN3O — CID 129053532

IUPAC2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide
SMILESCCCC(C(N)=O)(c1ccncc1F)N(C)C
InChIInChI=1S/C12H18FN3O/c1-4-6-12(11(14)17,16(2)3)9-5-7-15-8-10(9)13/h5,7-8H,4,6H2,1-3H3,(H2,14,17)
InChIKeyZDFFNSKSYAEPIN-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.26
Rot. Bonds5

About 2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide

2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide (PubChem CID 129053532) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide
PubChem CID129053532
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide
SMILESCCCC(C(N)=O)(c1ccncc1F)N(C)C
InChIInChI=1S/C12H18FN3O/c1-4-6-12(11(14)17,16(2)3)9-5-7-15-8-10(9)13/h5,7-8H,4,6H2,1-3H3,(H2,14,17)
InChIKeyZDFFNSKSYAEPIN-UHFFFAOYSA-N
XLogP1.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
CID 104739345
1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol
CID 104737726
2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
CID 104739354
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
CID 116535810
2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
CID 104737591
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea
CID 103886199
2-(diethylamino)-1-(3-fluoro-4-pyridinyl)-2-methylpropan-1-one
CID 104737892
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 79652581
N-(3-carbamothioylpentan-3-yl)-3-fluoropyridine-4-carboxamide
CID 64950085

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide?
The IUPAC name of 2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide (CID 129053532) is 2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide is CCCC(C(N)=O)(c1ccncc1F)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide?
The InChIKey is ZDFFNSKSYAEPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-4-6-12(11(14)17,16(2)3)9-5-7-15-8-10(9)13/h5,7-8H,4,6H2,1-3H3,(H2,14,17).
What are the key properties of 2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide?
2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide has a molecular weight of 239.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide is sourced from PubChem (CID 129053532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).