3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide

C18H24N4O2 — CID 125439403

IUPAC3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide
SMILESCC[C@H](COC)NC(=O)c1cccc(-c2cncc(N(C)C)n2)c1
InChIInChI=1S/C18H24N4O2/c1-5-15(12-24-4)20-18(23)14-8-6-7-13(9-14)16-10-19-11-17(21-16)22(2)3/h6-11,15H,5,12H2,1-4H3,(H,20,23)/t15-/m1/s1
InChIKeyBSOJNZZDBFBTQX-OAHLLOKOSA-N
MW328.42 g/mol
LogP2.36
Rot. Bonds7

About 3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide

3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide (PubChem CID 125439403) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide.

Molecular Properties

Compound Name3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide
PubChem CID125439403
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide
SMILESCC[C@H](COC)NC(=O)c1cccc(-c2cncc(N(C)C)n2)c1
InChIInChI=1S/C18H24N4O2/c1-5-15(12-24-4)20-18(23)14-8-6-7-13(9-14)16-10-19-11-17(21-16)22(2)3/h6-11,15H,5,12H2,1-4H3,(H,20,23)/t15-/m1/s1
InChIKeyBSOJNZZDBFBTQX-OAHLLOKOSA-N
XLogP2.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide
CID 126426614
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566
3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 122555880
3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide
CID 122566280
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799343
3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 45138102
[2-formyl-4-(1-methoxybutan-2-ylcarbamoyl)phenyl]boronic acid
CID 166430542
N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 125435955
3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 125442539
N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide
CID 125444057

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide?
The IUPAC name of 3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide (CID 125439403) is 3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide.
What is the SMILES notation for 3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide?
The canonical SMILES for 3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide is CC[C@H](COC)NC(=O)c1cccc(-c2cncc(N(C)C)n2)c1.
What is the InChIKey of 3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide?
The InChIKey is BSOJNZZDBFBTQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-15(12-24-4)20-18(23)14-8-6-7-13(9-14)16-10-19-11-17(21-16)22(2)3/h6-11,15H,5,12H2,1-4H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide?
3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide is sourced from PubChem (CID 125439403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).