3-[(6-fluoro-3-pyridinyl)amino]butanamide

C9H12FN3O — CID 126988107

IUPAC3-[(6-fluoro-3-pyridinyl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ccc(F)nc1
InChIInChI=1S/C9H12FN3O/c1-6(4-9(11)14)13-7-2-3-8(10)12-5-7/h2-3,5-6,13H,4H2,1H3,(H2,11,14)
InChIKeyWISLJOISCDGKQU-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.90
Rot. Bonds4

About 3-[(6-fluoro-3-pyridinyl)amino]butanamide

3-[(6-fluoro-3-pyridinyl)amino]butanamide (PubChem CID 126988107) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-[(6-fluoro-3-pyridinyl)amino]butanamide.

Molecular Properties

Compound Name3-[(6-fluoro-3-pyridinyl)amino]butanamide
PubChem CID126988107
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name3-[(6-fluoro-3-pyridinyl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ccc(F)nc1
InChIInChI=1S/C9H12FN3O/c1-6(4-9(11)14)13-7-2-3-8(10)12-5-7/h2-3,5-6,13H,4H2,1H3,(H2,11,14)
InChIKeyWISLJOISCDGKQU-UHFFFAOYSA-N
XLogP0.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
CID 115674679
3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029
N-(1-ethylsulfonylpropan-2-yl)-6-fluoropyridin-3-amine
CID 104872087
3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide
CID 114270159
N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide
CID 103789664
4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol
CID 104862516
3-[(6-methyl-3-pyridinyl)amino]butanoic acid
CID 170628757
3-[(5-bromo-2-pyridinyl)amino]butanamide
CID 115684979
3-(4-fluoro-2-methylanilino)butanamide
CID 115925836
(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide
CID 104878117
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
3-(4-fluoroanilino)-N,N-dimethylbutanamide
CID 115916764

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-3-pyridinyl)amino]butanamide?
The IUPAC name of 3-[(6-fluoro-3-pyridinyl)amino]butanamide (CID 126988107) is 3-[(6-fluoro-3-pyridinyl)amino]butanamide.
What is the SMILES notation for 3-[(6-fluoro-3-pyridinyl)amino]butanamide?
The canonical SMILES for 3-[(6-fluoro-3-pyridinyl)amino]butanamide is CC(CC(N)=O)Nc1ccc(F)nc1.
What is the InChIKey of 3-[(6-fluoro-3-pyridinyl)amino]butanamide?
The InChIKey is WISLJOISCDGKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-6(4-9(11)14)13-7-2-3-8(10)12-5-7/h2-3,5-6,13H,4H2,1H3,(H2,11,14).
What are the key properties of 3-[(6-fluoro-3-pyridinyl)amino]butanamide?
3-[(6-fluoro-3-pyridinyl)amino]butanamide has a molecular weight of 197.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-3-pyridinyl)amino]butanamide is sourced from PubChem (CID 126988107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).