N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide

C13H12FN3O — CID 162428426

IUPACN-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1cc(N)ccn1)c1ccccc1F
InChIInChI=1S/C13H12FN3O/c1-9(18)17(12-5-3-2-4-11(12)14)13-8-10(15)6-7-16-13/h2-8H,1H3,(H2,15,16)
InChIKeyBWUUWGRXLMYBOD-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.49
Rot. Bonds2

About N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide

N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide (PubChem CID 162428426) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide
PubChem CID162428426
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1cc(N)ccn1)c1ccccc1F
InChIInChI=1S/C13H12FN3O/c1-9(18)17(12-5-3-2-4-11(12)14)13-8-10(15)6-7-16-13/h2-8H,1H3,(H2,15,16)
InChIKeyBWUUWGRXLMYBOD-UHFFFAOYSA-N
XLogP2.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide (CID 162428426) is N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide is CC(=O)N(c1cc(N)ccn1)c1ccccc1F.
What is the InChIKey of N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide?
The InChIKey is BWUUWGRXLMYBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-9(18)17(12-5-3-2-4-11(12)14)13-8-10(15)6-7-16-13/h2-8H,1H3,(H2,15,16).
What are the key properties of N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide?
N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide has a molecular weight of 245.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 162428426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).