N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide

C13H11F2N3O — CID 162428379

IUPACN-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
SMILESCC(=O)N(c1cc(F)cc(F)c1)c1cc(N)ccn1
InChIInChI=1S/C13H11F2N3O/c1-8(19)18(13-7-11(16)2-3-17-13)12-5-9(14)4-10(15)6-12/h2-7H,1H3,(H2,16,17)
InChIKeyWVXGMKZWZKIFRH-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.63
Rot. Bonds2

About N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide

N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide (PubChem CID 162428379) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
PubChem CID162428379
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
SMILESCC(=O)N(c1cc(F)cc(F)c1)c1cc(N)ccn1
InChIInChI=1S/C13H11F2N3O/c1-8(19)18(13-7-11(16)2-3-17-13)12-5-9(14)4-10(15)6-12/h2-7H,1H3,(H2,16,17)
InChIKeyWVXGMKZWZKIFRH-UHFFFAOYSA-N
XLogP2.63
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.63
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-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide (CID 162428379) is N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide is CC(=O)N(c1cc(F)cc(F)c1)c1cc(N)ccn1.
What is the InChIKey of N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide?
The InChIKey is WVXGMKZWZKIFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-8(19)18(13-7-11(16)2-3-17-13)12-5-9(14)4-10(15)6-12/h2-7H,1H3,(H2,16,17).
What are the key properties of N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide?
N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide has a molecular weight of 263.25 g/mol, XLogP of 2.63, 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-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 162428379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).