N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide

C14H14FN3O — CID 113018289

IUPACN-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C14H14FN3O/c1-2-14(19)18-12-7-8-13(16-9-12)17-11-5-3-10(15)4-6-11/h3-9H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyOSOJELZIRVMBDV-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.31
Rot. Bonds4

About N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide

N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide (PubChem CID 113018289) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
PubChem CID113018289
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C14H14FN3O/c1-2-14(19)18-12-7-8-13(16-9-12)17-11-5-3-10(15)4-6-11/h3-9H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyOSOJELZIRVMBDV-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
CID 113023032
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113019688
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
CID 113021698
N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide
CID 113022413

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide?
The IUPAC name of N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide (CID 113018289) is N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide.
What is the SMILES notation for N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide?
The canonical SMILES for N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide?
The InChIKey is OSOJELZIRVMBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-2-14(19)18-12-7-8-13(16-9-12)17-11-5-3-10(15)4-6-11/h3-9H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide?
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide has a molecular weight of 259.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide is sourced from PubChem (CID 113018289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).