N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide

C14H14FN3O — CID 17066841

IUPACN-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESO=C(CNCc1ccncc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c15-12-1-3-13(4-2-12)18-14(19)10-17-9-11-5-7-16-8-6-11/h1-8,17H,9-10H2,(H,18,19)
InChIKeyBAKIUTMBSFRKSU-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.95
Rot. Bonds5

About N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide

N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 17066841) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID17066841
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESO=C(CNCc1ccncc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O/c15-12-1-3-13(4-2-12)18-14(19)10-17-9-11-5-7-16-8-6-11/h1-8,17H,9-10H2,(H,18,19)
InChIKeyBAKIUTMBSFRKSU-UHFFFAOYSA-N
XLogP1.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 47107068
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999660
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
N-(4-fluorophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066843
methyl 4-[[2-(pyridin-4-ylmethylamino)acetyl]amino]benzoate;oxalic acid
CID 15944793
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997773
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999707
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999704
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999711
N-(4-fluorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895590
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 24718593

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide (CID 17066841) is N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide is O=C(CNCc1ccncc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is BAKIUTMBSFRKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-12-1-3-13(4-2-12)18-14(19)10-17-9-11-5-7-16-8-6-11/h1-8,17H,9-10H2,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide?
N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 259.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 17066841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).