[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C17H21N5O2 — CID 154761996

IUPAC[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCN(C)Cc1cc(OC2CCN(C(=O)c3cnccn3)C2)ccn1
InChIInChI=1S/C17H21N5O2/c1-21(2)11-13-9-14(3-5-19-13)24-15-4-8-22(12-15)17(23)16-10-18-6-7-20-16/h3,5-7,9-10,15H,4,8,11-12H2,1-2H3
InChIKeyCIUMNJQJYNDMRJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.23
Rot. Bonds5

About [3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 154761996) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID154761996
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCN(C)Cc1cc(OC2CCN(C(=O)c3cnccn3)C2)ccn1
InChIInChI=1S/C17H21N5O2/c1-21(2)11-13-9-14(3-5-19-13)24-15-4-8-22(12-15)17(23)16-10-18-6-7-20-16/h3,5-7,9-10,15H,4,8,11-12H2,1-2H3
InChIKeyCIUMNJQJYNDMRJ-UHFFFAOYSA-N
XLogP1.23
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129475193
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
tert-butyl (3S)-3-[[2-(hydroxymethyl)-4-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 166114212
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
CID 154753505
pyrazin-2-yl-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129472960
pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 95108044
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[4-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 141336866

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 154761996) is [3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is CN(C)Cc1cc(OC2CCN(C(=O)c3cnccn3)C2)ccn1.
What is the InChIKey of [3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is CIUMNJQJYNDMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21(2)11-13-9-14(3-5-19-13)24-15-4-8-22(12-15)17(23)16-10-18-6-7-20-16/h3,5-7,9-10,15H,4,8,11-12H2,1-2H3.
What are the key properties of [3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 327.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 154761996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).