2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C22H22N4O2 — CID 95813317

IUPAC2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1
InChIInChI=1S/C22H22N4O2/c27-22(16-28-18-7-2-1-3-8-18)26-14-6-9-20(26)19-12-11-17(15-24-19)25-21-10-4-5-13-23-21/h1-5,7-8,10-13,15,20H,6,9,14,16H2,(H,23,25)/t20-/m0/s1
InChIKeyHNJRTKGRBFSUIG-FQEVSTJZSA-N
MW374.44 g/mol
LogP3.96
Rot. Bonds6

About 2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 95813317) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID95813317
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1
InChIInChI=1S/C22H22N4O2/c27-22(16-28-18-7-2-1-3-8-18)26-14-6-9-20(26)19-12-11-17(15-24-19)25-21-10-4-5-13-23-21/h1-5,7-8,10-13,15,20H,6,9,14,16H2,(H,23,25)/t20-/m0/s1
InChIKeyHNJRTKGRBFSUIG-FQEVSTJZSA-N
XLogP3.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813329
6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 95813435
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110252269
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813369
N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252150
1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837637
3-(3-chlorophenyl)-1-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95813443
(6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110252201
3-(3-chlorophenyl)-1-[(2R)-2-[5-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95813440
2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813466

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 95813317) is 2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1.
What is the InChIKey of 2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is HNJRTKGRBFSUIG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-22(16-28-18-7-2-1-3-8-18)26-14-6-9-20(26)19-12-11-17(15-24-19)25-21-10-4-5-13-23-21/h1-5,7-8,10-13,15,20H,6,9,14,16H2,(H,23,25)/t20-/m0/s1.
What are the key properties of 2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 374.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95813317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).