4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide

C13H21N3O — CID 59836577

IUPAC4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
SMILESCc1cnc(CNC(=O)CCC(C)(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-10-7-15-11(8-14-10)9-16-12(17)5-6-13(2,3)4/h7-8H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyZONAQQYCZFNOBI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.23
Rot. Bonds4

About 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide

4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide (PubChem CID 59836577) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
PubChem CID59836577
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
SMILESCc1cnc(CNC(=O)CCC(C)(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-10-7-15-11(8-14-10)9-16-12(17)5-6-13(2,3)4/h7-8H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyZONAQQYCZFNOBI-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide (CID 59836577) is 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide is Cc1cnc(CNC(=O)CCC(C)(C)C)cn1.
What is the InChIKey of 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide?
The InChIKey is ZONAQQYCZFNOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-7-15-11(8-14-10)9-16-12(17)5-6-13(2,3)4/h7-8H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide?
4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide is sourced from PubChem (CID 59836577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).