[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol

C21H22N4O2 — CID 59374268

IUPAC[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O2/c26-15-17-5-4-14-25(17)19-6-3-13-23-21(19)27-18-10-8-16(9-11-18)24-20-7-1-2-12-22-20/h1-3,6-13,17,26H,4-5,14-15H2,(H,22,24)
InChIKeyCGLMOGQLNPWIFU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.97
Rot. Bonds6

About [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol

[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 59374268) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID59374268
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O2/c26-15-17-5-4-14-25(17)19-6-3-13-23-21(19)27-18-10-8-16(9-11-18)24-20-7-1-2-12-22-20/h1-3,6-13,17,26H,4-5,14-15H2,(H,22,24)
InChIKeyCGLMOGQLNPWIFU-UHFFFAOYSA-N
XLogP3.97
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol (CID 59374268) is [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is CGLMOGQLNPWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-15-17-5-4-14-25(17)19-6-3-13-23-21(19)27-18-10-8-16(9-11-18)24-20-7-1-2-12-22-20/h1-3,6-13,17,26H,4-5,14-15H2,(H,22,24).
What are the key properties of [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol?
[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 362.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 59374268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).