N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide

C14H14FN3O2 — CID 162428454

IUPACN-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2cc(N)ccn2)cc1F
InChIInChI=1S/C14H14FN3O2/c1-9(19)18(14-7-10(16)5-6-17-14)11-3-4-13(20-2)12(15)8-11/h3-8H,1-2H3,(H2,16,17)
InChIKeyVKVSEIAXHVNORT-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.50
Rot. Bonds3

About N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide

N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 162428454) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID162428454
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2cc(N)ccn2)cc1F
InChIInChI=1S/C14H14FN3O2/c1-9(19)18(14-7-10(16)5-6-17-14)11-3-4-13(20-2)12(15)8-11/h3-8H,1-2H3,(H2,16,17)
InChIKeyVKVSEIAXHVNORT-UHFFFAOYSA-N
XLogP2.50
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide (CID 162428454) is N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide is COc1ccc(N(C(C)=O)c2cc(N)ccn2)cc1F.
What is the InChIKey of N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is VKVSEIAXHVNORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9(19)18(14-7-10(16)5-6-17-14)11-3-4-13(20-2)12(15)8-11/h3-8H,1-2H3,(H2,16,17).
What are the key properties of N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide?
N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 275.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 162428454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).