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

C21H22N4O2 — CID 59374018

IUPAC[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C21H22N4O2/c26-15-16-10-13-25(14-16)19-4-3-12-23-21(19)27-18-8-6-17(7-9-18)24-20-5-1-2-11-22-20/h1-9,11-12,16,26H,10,13-15H2,(H,22,24)
InChIKeySYIJBYVZCWPAAM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.83
Rot. Bonds6

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

[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol (PubChem CID 59374018) 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-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol
PubChem CID59374018
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C21H22N4O2/c26-15-16-10-13-25(14-16)19-4-3-12-23-21(19)27-18-8-6-17(7-9-18)24-20-5-1-2-11-22-20/h1-9,11-12,16,26H,10,13-15H2,(H,22,24)
InChIKeySYIJBYVZCWPAAM-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol
CID 46831505
N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 70875227
[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol
CID 67569571
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanol
CID 79044202
1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59373992
N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
CID 67426031
[1-(2-phenoxyphenyl)pyrrolidin-3-yl]methanol
CID 64865616
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67425066
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146
(1-quinolin-8-ylpyrrolidin-3-yl)methanol
CID 64863292
N-(2-hydroxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374271
tert-butyl 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-1-carboxylate
CID 59374012

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol (CID 59374018) is [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol is OCC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol?
The InChIKey is SYIJBYVZCWPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-15-16-10-13-25(14-16)19-4-3-12-23-21(19)27-18-8-6-17(7-9-18)24-20-5-1-2-11-22-20/h1-9,11-12,16,26H,10,13-15H2,(H,22,24).
What are the key properties of [1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol?
[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol has a molecular weight of 362.43 g/mol, XLogP of 3.83, 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-3-yl]methanol is sourced from PubChem (CID 59374018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).