2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide

C16H18FN3O — CID 115938831

IUPAC2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide
SMILESCCC(Nc1ccccc1C)(C(N)=O)c1ccc(F)cn1
InChIInChI=1S/C16H18FN3O/c1-3-16(15(18)21,14-9-8-12(17)10-19-14)20-13-7-5-4-6-11(13)2/h4-10,20H,3H2,1-2H3,(H2,18,21)
InChIKeyWYWDNEKGQWNZCD-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.73
Rot. Bonds5

About 2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide

2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide (PubChem CID 115938831) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide
PubChem CID115938831
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide
SMILESCCC(Nc1ccccc1C)(C(N)=O)c1ccc(F)cn1
InChIInChI=1S/C16H18FN3O/c1-3-16(15(18)21,14-9-8-12(17)10-19-14)20-13-7-5-4-6-11(13)2/h4-10,20H,3H2,1-2H3,(H2,18,21)
InChIKeyWYWDNEKGQWNZCD-UHFFFAOYSA-N
XLogP2.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylanilino)-2-phenylpentanamide
CID 60996445
2-(5-fluoro-2-pyridinyl)-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 112583365
2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
CID 115940892
2-(4-fluoroanilino)-2-(4-fluorophenyl)butanamide
CID 60996994
2-[[2,2-difluoro-2-(5-fluoro-2-pyridinyl)acetyl]amino]benzamide
CID 66610694
ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
CID 83119923
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
CID 83129036
ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2,2-dimethylpentanoate
CID 112586432
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126820
methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate
CID 112586775
3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine
CID 130655519

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide (CID 115938831) is 2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide is CCC(Nc1ccccc1C)(C(N)=O)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide?
The InChIKey is WYWDNEKGQWNZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-16(15(18)21,14-9-8-12(17)10-19-14)20-13-7-5-4-6-11(13)2/h4-10,20H,3H2,1-2H3,(H2,18,21).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide?
2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide has a molecular weight of 287.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide is sourced from PubChem (CID 115938831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).