N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide

C20H26N4O2 — CID 125442918

IUPACN-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide
SMILESCCN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2nccnc2NC)c1
InChIInChI=1S/C20H26N4O2/c1-3-24(14-17-9-4-5-12-26-17)20(25)16-8-6-7-15(13-16)18-19(21-2)23-11-10-22-18/h6-8,10-11,13,17H,3-5,9,12,14H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyXGGRMWUXFKGNQM-QGZVFWFLSA-N
MW354.45 g/mol
LogP3.22
Rot. Bonds6

About N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide

N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide (PubChem CID 125442918) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide
PubChem CID125442918
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide
SMILESCCN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2nccnc2NC)c1
InChIInChI=1S/C20H26N4O2/c1-3-24(14-17-9-4-5-12-26-17)20(25)16-8-6-7-15(13-16)18-19(21-2)23-11-10-22-18/h6-8,10-11,13,17H,3-5,9,12,14H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyXGGRMWUXFKGNQM-QGZVFWFLSA-N
XLogP3.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
methyl 3-[4-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]benzoate
CID 126432728
3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 122565335
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179439
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
CID 94489762
N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 47829854
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide?
The IUPAC name of N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide (CID 125442918) is N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide.
What is the SMILES notation for N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide?
The canonical SMILES for N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide is CCN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2nccnc2NC)c1.
What is the InChIKey of N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide?
The InChIKey is XGGRMWUXFKGNQM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-24(14-17-9-4-5-12-26-17)20(25)16-8-6-7-15(13-16)18-19(21-2)23-11-10-22-18/h6-8,10-11,13,17H,3-5,9,12,14H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide?
N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide is sourced from PubChem (CID 125442918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).