(3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol

C20H20N4O2 — CID 46830900

IUPAC(3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C20H20N4O2/c25-16-10-13-24(14-16)18-4-3-12-22-20(18)26-17-8-6-15(7-9-17)23-19-5-1-2-11-21-19/h1-9,11-12,16,25H,10,13-14H2,(H,21,23)/t16-/m0/s1
InChIKeyNXVVXBAUUOIKAG-INIZCTEOSA-N
MW348.41 g/mol
LogP3.58
Rot. Bonds5

About (3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol

(3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol (PubChem CID 46830900) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol
PubChem CID46830900
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C20H20N4O2/c25-16-10-13-24(14-16)18-4-3-12-22-20(18)26-17-8-6-15(7-9-17)23-19-5-1-2-11-21-19/h1-9,11-12,16,25H,10,13-14H2,(H,21,23)/t16-/m0/s1
InChIKeyNXVVXBAUUOIKAG-INIZCTEOSA-N
XLogP3.58
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol (CID 46830900) is (3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol is O[C@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of (3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol?
The InChIKey is NXVVXBAUUOIKAG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-16-10-13-24(14-16)18-4-3-12-22-20(18)26-17-8-6-15(7-9-17)23-19-5-1-2-11-21-19/h1-9,11-12,16,25H,10,13-14H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol?
(3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol has a molecular weight of 348.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 46830900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).