N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide

C13H22N4O — CID 62847742

IUPACN-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide
SMILESCc1cnc(CNC(C)C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C13H22N4O/c1-9-6-16-11(7-14-9)8-15-10(2)12(18)17-13(3,4)5/h6-7,10,15H,8H2,1-5H3,(H,17,18)
InChIKeyWTZMPPLIORMFLF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.18
Rot. Bonds4

About N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide

N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide (PubChem CID 62847742) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide
PubChem CID62847742
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide
SMILESCc1cnc(CNC(C)C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C13H22N4O/c1-9-6-16-11(7-14-9)8-15-10(2)12(18)17-13(3,4)5/h6-7,10,15H,8H2,1-5H3,(H,17,18)
InChIKeyWTZMPPLIORMFLF-UHFFFAOYSA-N
XLogP1.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide (CID 62847742) is N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide is Cc1cnc(CNC(C)C(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide?
The InChIKey is WTZMPPLIORMFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-6-16-11(7-14-9)8-15-10(2)12(18)17-13(3,4)5/h6-7,10,15H,8H2,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide?
N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-methylpyrazin-2-yl)methylamino]propanamide is sourced from PubChem (CID 62847742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).