5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine

C19H22FN3O2 — CID 118590300

IUPAC5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCCC2c2cc(F)ccc2O[C@@H]2CCOC2)cn1
InChIInChI=1S/C19H22FN3O2/c20-13-3-5-18(25-15-7-9-24-12-15)16(10-13)17-2-1-8-23(17)14-4-6-19(21)22-11-14/h3-6,10-11,15,17H,1-2,7-9,12H2,(H2,21,22)/t15-,17?/m1/s1
InChIKeyDDTGMSPNVHIPMK-LDCVWXEPSA-N
MW343.40 g/mol
LogP3.31
Rot. Bonds4

About 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine

5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 118590300) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine
PubChem CID118590300
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCCC2c2cc(F)ccc2O[C@@H]2CCOC2)cn1
InChIInChI=1S/C19H22FN3O2/c20-13-3-5-18(25-15-7-9-24-12-15)16(10-13)17-2-1-8-23(17)14-4-6-19(21)22-11-14/h3-6,10-11,15,17H,1-2,7-9,12H2,(H2,21,22)/t15-,17?/m1/s1
InChIKeyDDTGMSPNVHIPMK-LDCVWXEPSA-N
XLogP3.31
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine (CID 118590300) is 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine is Nc1ccc(N2CCCC2c2cc(F)ccc2O[C@@H]2CCOC2)cn1.
What is the InChIKey of 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is DDTGMSPNVHIPMK-LDCVWXEPSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-13-3-5-18(25-15-7-9-24-12-15)16(10-13)17-2-1-8-23(17)14-4-6-19(21)22-11-14/h3-6,10-11,15,17H,1-2,7-9,12H2,(H2,21,22)/t15-,17?/m1/s1.
What are the key properties of 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine?
5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 343.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 118590300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).