6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine

C17H20FN3O — CID 123841004

IUPAC6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine
SMILESCNc1nc(-c2cccc(N3CCC(F)C3)c2)ccc1OC
InChIInChI=1S/C17H20FN3O/c1-19-17-16(22-2)7-6-15(20-17)12-4-3-5-14(10-12)21-9-8-13(18)11-21/h3-7,10,13H,8-9,11H2,1-2H3,(H,19,20)
InChIKeyCQZJAFABKVQAIP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.35
Rot. Bonds4

About 6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine

6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine (PubChem CID 123841004) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine
PubChem CID123841004
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine
SMILESCNc1nc(-c2cccc(N3CCC(F)C3)c2)ccc1OC
InChIInChI=1S/C17H20FN3O/c1-19-17-16(22-2)7-6-15(20-17)12-4-3-5-14(10-12)21-9-8-13(18)11-21/h3-7,10,13H,8-9,11H2,1-2H3,(H,19,20)
InChIKeyCQZJAFABKVQAIP-UHFFFAOYSA-N
XLogP3.35
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine?
The IUPAC name of 6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine (CID 123841004) is 6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine?
The canonical SMILES for 6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine is CNc1nc(-c2cccc(N3CCC(F)C3)c2)ccc1OC.
What is the InChIKey of 6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine?
The InChIKey is CQZJAFABKVQAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-19-17-16(22-2)7-6-15(20-17)12-4-3-5-14(10-12)21-9-8-13(18)11-21/h3-7,10,13H,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine?
6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine has a molecular weight of 301.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine is sourced from PubChem (CID 123841004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).