3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C20H27N5O2 — CID 126438198

IUPAC3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cnc(N)cn2)c1
InChIInChI=1S/C20H27N5O2/c1-24(2)8-9-25(14-17-7-4-10-27-17)20(26)16-6-3-5-15(11-16)18-12-23-19(21)13-22-18/h3,5-6,11-13,17H,4,7-10,14H2,1-2H3,(H2,21,23)/t17-/m1/s1
InChIKeyZTPAKVFGEDILII-QGZVFWFLSA-N
MW369.47 g/mol
LogP1.91
Rot. Bonds7

About 3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 126438198) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID126438198
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cnc(N)cn2)c1
InChIInChI=1S/C20H27N5O2/c1-24(2)8-9-25(14-17-7-4-10-27-17)20(26)16-6-3-5-15(11-16)18-12-23-19(21)13-22-18/h3,5-6,11-13,17H,4,7-10,14H2,1-2H3,(H2,21,23)/t17-/m1/s1
InChIKeyZTPAKVFGEDILII-QGZVFWFLSA-N
XLogP1.91
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082
N-[2-(dimethylamino)ethyl]-3-(1-ethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125167209
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide
CID 126450263
3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 122565335
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 95303165
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 72926752
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95301857
2-amino-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 124755714

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 126438198) is 3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cnc(N)cn2)c1.
What is the InChIKey of 3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is ZTPAKVFGEDILII-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24(2)8-9-25(14-17-7-4-10-27-17)20(26)16-6-3-5-15(11-16)18-12-23-19(21)13-22-18/h3,5-6,11-13,17H,4,7-10,14H2,1-2H3,(H2,21,23)/t17-/m1/s1.
What are the key properties of 3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 126438198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).