2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine

C21H22N4O — CID 99788164

IUPAC2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine
SMILESC[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(Oc3cnccn3)cc2)C1
InChIInChI=1S/C21H22N4O/c1-16-11-20(18-3-2-8-22-12-18)25(14-16)15-17-4-6-19(7-5-17)26-21-13-23-9-10-24-21/h2-10,12-13,16,20H,11,14-15H2,1H3/t16-,20+/m0/s1
InChIKeyAZNDSWXVZQQKBH-OXJNMPFZSA-N
MW346.43 g/mol
LogP4.25
Rot. Bonds5

About 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine

2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine (PubChem CID 99788164) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine.

Molecular Properties

Compound Name2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine
PubChem CID99788164
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine
SMILESC[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(Oc3cnccn3)cc2)C1
InChIInChI=1S/C21H22N4O/c1-16-11-20(18-3-2-8-22-12-18)25(14-16)15-17-4-6-19(7-5-17)26-21-13-23-9-10-24-21/h2-10,12-13,16,20H,11,14-15H2,1H3/t16-,20+/m0/s1
InChIKeyAZNDSWXVZQQKBH-OXJNMPFZSA-N
XLogP4.25
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine with MolForge

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Related Compounds

2-methoxy-4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenol
CID 99842894
2-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenoxy]pyrazine
CID 120906234
5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120903406
3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 99832102
2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine
CID 154881106
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
3-[(2S,4S)-1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-4-methylpyrrolidin-2-yl]pyridine
CID 99791847
(5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine
CID 102052664
2-[4-(pyridin-3-ylmethoxy)phenoxy]pyrazine
CID 167789022
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
N-[(4-pyrazin-2-yloxyphenyl)methyl]pyrimidin-2-amine
CID 86804405

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine?
The IUPAC name of 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine (CID 99788164) is 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine.
What is the SMILES notation for 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine?
The canonical SMILES for 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine is C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(Oc3cnccn3)cc2)C1.
What is the InChIKey of 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine?
The InChIKey is AZNDSWXVZQQKBH-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-11-20(18-3-2-8-22-12-18)25(14-16)15-17-4-6-19(7-5-17)26-21-13-23-9-10-24-21/h2-10,12-13,16,20H,11,14-15H2,1H3/t16-,20+/m0/s1.
What are the key properties of 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine?
2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine has a molecular weight of 346.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine is sourced from PubChem (CID 99788164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).