3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide

C20H27N5O2 — CID 122555880

IUPAC3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1cccc(-c2cncc(N(C)C)n2)c1
InChIInChI=1S/C20H27N5O2/c1-15(14-25-7-9-27-10-8-25)22-20(26)17-6-4-5-16(11-17)18-12-21-13-19(23-18)24(2)3/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,22,26)
InChIKeyHRDQTJXWQMTJMC-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.66
Rot. Bonds6

About 3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide

3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 122555880) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID122555880
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1cccc(-c2cncc(N(C)C)n2)c1
InChIInChI=1S/C20H27N5O2/c1-15(14-25-7-9-27-10-8-25)22-20(26)17-6-4-5-16(11-17)18-12-21-13-19(23-18)24(2)3/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,22,26)
InChIKeyHRDQTJXWQMTJMC-UHFFFAOYSA-N
XLogP1.66
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 126446790
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-pyrazin-2-ylbenzamide
CID 125166524
6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 103879470
3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 104627716
6-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 62239352
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715703
3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide
CID 156752452
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 125435955
3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 95621032

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of 3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 122555880) is 3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide is CC(CN1CCOCC1)NC(=O)c1cccc(-c2cncc(N(C)C)n2)c1.
What is the InChIKey of 3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is HRDQTJXWQMTJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15(14-25-7-9-27-10-8-25)22-20(26)17-6-4-5-16(11-17)18-12-21-13-19(23-18)24(2)3/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,22,26).
What are the key properties of 3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 122555880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).