3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine

C18H17FN4O2 — CID 129110698

IUPAC3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2cnc(N)c(-c3ncc(N)cc3F)c2)cc1OC
InChIInChI=1S/C18H17FN4O2/c1-24-15-4-3-10(6-16(15)25-2)11-5-13(18(21)23-8-11)17-14(19)7-12(20)9-22-17/h3-9H,20H2,1-2H3,(H2,21,23)
InChIKeyQAOPVULVILQLPY-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.13
Rot. Bonds4

About 3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine

3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine (PubChem CID 129110698) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine
PubChem CID129110698
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2cnc(N)c(-c3ncc(N)cc3F)c2)cc1OC
InChIInChI=1S/C18H17FN4O2/c1-24-15-4-3-10(6-16(15)25-2)11-5-13(18(21)23-8-11)17-14(19)7-12(20)9-22-17/h3-9H,20H2,1-2H3,(H2,21,23)
InChIKeyQAOPVULVILQLPY-UHFFFAOYSA-N
XLogP3.13
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine (CID 129110698) is 3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine is COc1ccc(-c2cnc(N)c(-c3ncc(N)cc3F)c2)cc1OC.
What is the InChIKey of 3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine?
The InChIKey is QAOPVULVILQLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-24-15-4-3-10(6-16(15)25-2)11-5-13(18(21)23-8-11)17-14(19)7-12(20)9-22-17/h3-9H,20H2,1-2H3,(H2,21,23).
What are the key properties of 3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine?
3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine has a molecular weight of 340.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 129110698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).