3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide

C9H12FN3O — CID 62732862

IUPAC3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1ncccc1F
InChIInChI=1S/C9H12FN3O/c1-11-8(14)4-6-13-9-7(10)3-2-5-12-9/h2-3,5H,4,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyBKEZOPRKKODUNU-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.77
Rot. Bonds4

About 3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide

3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide (PubChem CID 62732862) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide
PubChem CID62732862
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1ncccc1F
InChIInChI=1S/C9H12FN3O/c1-11-8(14)4-6-13-9-7(10)3-2-5-12-9/h2-3,5H,4,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyBKEZOPRKKODUNU-UHFFFAOYSA-N
XLogP0.77
TPSA54.02 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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide (CID 62732862) is 3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide is CNC(=O)CCNc1ncccc1F.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide?
The InChIKey is BKEZOPRKKODUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-11-8(14)4-6-13-9-7(10)3-2-5-12-9/h2-3,5H,4,6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide?
3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide has a molecular weight of 197.21 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide is sourced from PubChem (CID 62732862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).