N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide

C17H22N4O2 — CID 119607218

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C17H22N4O2/c1-12(2)17(3,11-18)21-16(22)13-5-4-6-14(9-13)23-15-10-19-7-8-20-15/h4-10,12H,11,18H2,1-3H3,(H,21,22)
InChIKeyLJUXNWNWPVRJMK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.37
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide (PubChem CID 119607218) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide
PubChem CID119607218
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C17H22N4O2/c1-12(2)17(3,11-18)21-16(22)13-5-4-6-14(9-13)23-15-10-19-7-8-20-15/h4-10,12H,11,18H2,1-3H3,(H,21,22)
InChIKeyLJUXNWNWPVRJMK-UHFFFAOYSA-N
XLogP2.37
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480
3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 119609065
N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide
CID 86813885
N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 86813884
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
CID 119605904
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid
CID 120703222
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrazin-2-yloxybenzamide
CID 126767088
N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119608365

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide (CID 119607218) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide is CC(C)C(C)(CN)NC(=O)c1cccc(Oc2cnccn2)c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide?
The InChIKey is LJUXNWNWPVRJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)17(3,11-18)21-16(22)13-5-4-6-14(9-13)23-15-10-19-7-8-20-15/h4-10,12H,11,18H2,1-3H3,(H,21,22).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide has a molecular weight of 314.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide is sourced from PubChem (CID 119607218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).