2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide

C13H20N4O — CID 77144597

IUPAC2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide
SMILESCC(C)C(N)C(=O)N(Cc1cnccn1)C1CC1
InChIInChI=1S/C13H20N4O/c1-9(2)12(14)13(18)17(11-3-4-11)8-10-7-15-5-6-16-10/h5-7,9,11-12H,3-4,8,14H2,1-2H3
InChIKeyLDOWCIQPGNOVNQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.95
Rot. Bonds5

About 2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide

2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide (PubChem CID 77144597) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide
PubChem CID77144597
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide
SMILESCC(C)C(N)C(=O)N(Cc1cnccn1)C1CC1
InChIInChI=1S/C13H20N4O/c1-9(2)12(14)13(18)17(11-3-4-11)8-10-7-15-5-6-16-10/h5-7,9,11-12H,3-4,8,14H2,1-2H3
InChIKeyLDOWCIQPGNOVNQ-UHFFFAOYSA-N
XLogP0.95
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide?
The IUPAC name of 2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide (CID 77144597) is 2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide is CC(C)C(N)C(=O)N(Cc1cnccn1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide?
The InChIKey is LDOWCIQPGNOVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)12(14)13(18)17(11-3-4-11)8-10-7-15-5-6-16-10/h5-7,9,11-12H,3-4,8,14H2,1-2H3.
What are the key properties of 2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide?
2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide has a molecular weight of 248.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide is sourced from PubChem (CID 77144597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).