N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide

C15H16FN3O — CID 113027073

IUPACN-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O/c1-2-15(20)19-14-8-7-13(10-18-14)17-9-11-3-5-12(16)6-4-11/h3-8,10,17H,2,9H2,1H3,(H,18,19,20)
InChIKeyVKPWCJVYFFRHMV-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.18
Rot. Bonds5

About N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide

N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide (PubChem CID 113027073) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
PubChem CID113027073
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O/c1-2-15(20)19-14-8-7-13(10-18-14)17-9-11-3-5-12(16)6-4-11/h3-8,10,17H,2,9H2,1H3,(H,18,19,20)
InChIKeyVKPWCJVYFFRHMV-UHFFFAOYSA-N
XLogP3.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412
2-(4-fluorophenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023449
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
CID 1452729
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide (CID 113027073) is N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide?
The InChIKey is VKPWCJVYFFRHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-15(20)19-14-8-7-13(10-18-14)17-9-11-3-5-12(16)6-4-11/h3-8,10,17H,2,9H2,1H3,(H,18,19,20).
What are the key properties of N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide?
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide has a molecular weight of 273.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide is sourced from PubChem (CID 113027073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).