2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid

C20H26N4O3 — CID 74237817

IUPAC2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid
SMILESCN(Cc1cc(-c2cnccn2)ccc1OCC(=O)O)CC1CCCN1C
InChIInChI=1S/C20H26N4O3/c1-23(13-17-4-3-9-24(17)2)12-16-10-15(18-11-21-7-8-22-18)5-6-19(16)27-14-20(25)26/h5-8,10-11,17H,3-4,9,12-14H2,1-2H3,(H,25,26)
InChIKeyRJTVWKPQFLJGIE-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.13
Rot. Bonds8

About 2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid

2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid (PubChem CID 74237817) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid
PubChem CID74237817
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid
SMILESCN(Cc1cc(-c2cnccn2)ccc1OCC(=O)O)CC1CCCN1C
InChIInChI=1S/C20H26N4O3/c1-23(13-17-4-3-9-24(17)2)12-16-10-15(18-11-21-7-8-22-18)5-6-19(16)27-14-20(25)26/h5-8,10-11,17H,3-4,9,12-14H2,1-2H3,(H,25,26)
InChIKeyRJTVWKPQFLJGIE-UHFFFAOYSA-N
XLogP2.13
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-pyrazin-2-yl-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]acetic acid
CID 74242263
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzoic acid
CID 107908033
2-[[methyl-[(1-methylpiperidin-2-yl)methyl]amino]methyl]benzoic acid
CID 77081369
4-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982815
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82983909
N-[(2-bromo-4-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79315406
3-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 79315416
2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982737
2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine
CID 45224958
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
N-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine
CID 79313187
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine
CID 79313465

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid?
The IUPAC name of 2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid (CID 74237817) is 2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid?
The canonical SMILES for 2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid is CN(Cc1cc(-c2cnccn2)ccc1OCC(=O)O)CC1CCCN1C.
What is the InChIKey of 2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid?
The InChIKey is RJTVWKPQFLJGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23(13-17-4-3-9-24(17)2)12-16-10-15(18-11-21-7-8-22-18)5-6-19(16)27-14-20(25)26/h5-8,10-11,17H,3-4,9,12-14H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid?
2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid has a molecular weight of 370.45 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid is sourced from PubChem (CID 74237817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).