N-[(5-methylpyrazin-2-yl)methyl]propanamide

C9H13N3O — CID 64592399

IUPACN-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C9H13N3O/c1-3-9(13)12-6-8-5-10-7(2)4-11-8/h4-5H,3,6H2,1-2H3,(H,12,13)
InChIKeyORSBVMDPUBNDJY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.81
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]propanamide

N-[(5-methylpyrazin-2-yl)methyl]propanamide (PubChem CID 64592399) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]propanamide
PubChem CID64592399
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C9H13N3O/c1-3-9(13)12-6-8-5-10-7(2)4-11-8/h4-5H,3,6H2,1-2H3,(H,12,13)
InChIKeyORSBVMDPUBNDJY-UHFFFAOYSA-N
XLogP0.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]propanamide (CID 64592399) is N-[(5-methylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]propanamide is CCC(=O)NCc1cnc(C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The InChIKey is ORSBVMDPUBNDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-9(13)12-6-8-5-10-7(2)4-11-8/h4-5H,3,6H2,1-2H3,(H,12,13).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]propanamide?
N-[(5-methylpyrazin-2-yl)methyl]propanamide has a molecular weight of 179.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 64592399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).