5-methyl-N-propylpyrazine-2-carboxamide

C9H13N3O — CID 60637750

IUPAC5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCNC(=O)c1cnc(C)cn1
InChIInChI=1S/C9H13N3O/c1-3-4-10-9(13)8-6-11-7(2)5-12-8/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyAITWPKHJIHCFLU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.92
Rot. Bonds3

About 5-methyl-N-propylpyrazine-2-carboxamide

5-methyl-N-propylpyrazine-2-carboxamide (PubChem CID 60637750) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-methyl-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propylpyrazine-2-carboxamide
PubChem CID60637750
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCNC(=O)c1cnc(C)cn1
InChIInChI=1S/C9H13N3O/c1-3-4-10-9(13)8-6-11-7(2)5-12-8/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyAITWPKHJIHCFLU-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
CID 115612532
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide
CID 43596390
N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
CID 103658212
6-methyl-N-propylpyrazine-2-carboxamide
CID 54299010
6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
CID 66005550
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
CID 113264996
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propylpyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-propylpyrazine-2-carboxamide (CID 60637750) is 5-methyl-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-propylpyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-propylpyrazine-2-carboxamide is CCCNC(=O)c1cnc(C)cn1.
What is the InChIKey of 5-methyl-N-propylpyrazine-2-carboxamide?
The InChIKey is AITWPKHJIHCFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-4-10-9(13)8-6-11-7(2)5-12-8/h5-6H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 5-methyl-N-propylpyrazine-2-carboxamide?
5-methyl-N-propylpyrazine-2-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 60637750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).