2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide

C17H20FN3O — CID 113021263

IUPAC2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2cccc(F)c2)nc1
InChIInChI=1S/C17H20FN3O/c1-3-12(4-2)17(22)21-15-8-9-16(19-11-15)20-14-7-5-6-13(18)10-14/h5-12H,3-4H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyASAXPKBSKGEZII-UHFFFAOYSA-N
MW301.37 g/mol
LogP4.34
Rot. Bonds6

About 2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide

2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide (PubChem CID 113021263) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
PubChem CID113021263
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2cccc(F)c2)nc1
InChIInChI=1S/C17H20FN3O/c1-3-12(4-2)17(22)21-15-8-9-16(19-11-15)20-14-7-5-6-13(18)10-14/h5-12H,3-4H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyASAXPKBSKGEZII-UHFFFAOYSA-N
XLogP4.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016204
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113022012
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide
CID 113036420
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019893
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
N-[6-(3-fluoroanilino)-3-pyridinyl]furan-2-carboxamide
CID 113021264
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide (CID 113021263) is 2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide is CCC(CC)C(=O)Nc1ccc(Nc2cccc(F)c2)nc1.
What is the InChIKey of 2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide?
The InChIKey is ASAXPKBSKGEZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-3-12(4-2)17(22)21-15-8-9-16(19-11-15)20-14-7-5-6-13(18)10-14/h5-12H,3-4H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide?
2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide has a molecular weight of 301.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113021263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).