N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide

C13H22N4O — CID 62847912

IUPACN-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
SMILESCCC(C)(C)NC(=O)CNCc1cnc(C)cn1
InChIInChI=1S/C13H22N4O/c1-5-13(3,4)17-12(18)9-14-7-11-8-15-10(2)6-16-11/h6,8,14H,5,7,9H2,1-4H3,(H,17,18)
InChIKeyRJRROTUIDXKISC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.18
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide

N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide (PubChem CID 62847912) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
PubChem CID62847912
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
SMILESCCC(C)(C)NC(=O)CNCc1cnc(C)cn1
InChIInChI=1S/C13H22N4O/c1-5-13(3,4)17-12(18)9-14-7-11-8-15-10(2)6-16-11/h6,8,14H,5,7,9H2,1-4H3,(H,17,18)
InChIKeyRJRROTUIDXKISC-UHFFFAOYSA-N
XLogP1.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide (CID 62847912) is N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide is CCC(C)(C)NC(=O)CNCc1cnc(C)cn1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide?
The InChIKey is RJRROTUIDXKISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-13(3,4)17-12(18)9-14-7-11-8-15-10(2)6-16-11/h6,8,14H,5,7,9H2,1-4H3,(H,17,18).
What are the key properties of N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide?
N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide is sourced from PubChem (CID 62847912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).