6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide

C12H16ClN3O — CID 106551346

IUPAC6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H16ClN3O/c1-2-9(5-8-3-4-8)15-12(17)10-6-14-7-11(13)16-10/h6-9H,2-5H2,1H3,(H,15,17)
InChIKeyFZQRGPRIZIBZRI-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.44
Rot. Bonds5

About 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide

6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide (PubChem CID 106551346) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide
PubChem CID106551346
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H16ClN3O/c1-2-9(5-8-3-4-8)15-12(17)10-6-14-7-11(13)16-10/h6-9H,2-5H2,1H3,(H,15,17)
InChIKeyFZQRGPRIZIBZRI-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide (CID 106551346) is 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide is CCC(CC1CC1)NC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide?
The InChIKey is FZQRGPRIZIBZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-2-9(5-8-3-4-8)15-12(17)10-6-14-7-11(13)16-10/h6-9H,2-5H2,1H3,(H,15,17).
What are the key properties of 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide?
6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).