2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide

C12H18FN3O — CID 104953387

IUPAC2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cncc(F)c1
InChIInChI=1S/C12H18FN3O/c1-3-4-15-12(17)9(2)16-7-10-5-11(13)8-14-6-10/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyGWBKUBXEBXEFLT-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.23
Rot. Bonds6

About 2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide

2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide (PubChem CID 104953387) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
PubChem CID104953387
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cncc(F)c1
InChIInChI=1S/C12H18FN3O/c1-3-4-15-12(17)9(2)16-7-10-5-11(13)8-14-6-10/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyGWBKUBXEBXEFLT-UHFFFAOYSA-N
XLogP1.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 114452378
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
CID 113382018
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine
CID 104953314
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide
CID 43123289
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
CID 43221777
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
CID 104953358
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047
N-propyl-2-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 43221811

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide (CID 104953387) is 2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1cncc(F)c1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide?
The InChIKey is GWBKUBXEBXEFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-4-15-12(17)9(2)16-7-10-5-11(13)8-14-6-10/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide?
2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide has a molecular weight of 239.29 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 104953387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).