5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide

C12H18ClN3O2 — CID 107258530

IUPAC5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide
SMILESCCOCC(NC(=O)c1cnc(Cl)cn1)C(C)C
InChIInChI=1S/C12H18ClN3O2/c1-4-18-7-10(8(2)3)16-12(17)9-5-15-11(13)6-14-9/h5-6,8,10H,4,7H2,1-3H3,(H,16,17)
InChIKeyRROXMQXGVRXBCX-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.92
Rot. Bonds6

About 5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide

5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide (PubChem CID 107258530) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide
PubChem CID107258530
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide
SMILESCCOCC(NC(=O)c1cnc(Cl)cn1)C(C)C
InChIInChI=1S/C12H18ClN3O2/c1-4-18-7-10(8(2)3)16-12(17)9-5-15-11(13)6-14-9/h5-6,8,10H,4,7H2,1-3H3,(H,16,17)
InChIKeyRROXMQXGVRXBCX-UHFFFAOYSA-N
XLogP1.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide (CID 107258530) is 5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide is CCOCC(NC(=O)c1cnc(Cl)cn1)C(C)C.
What is the InChIKey of 5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide?
The InChIKey is RROXMQXGVRXBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-18-7-10(8(2)3)16-12(17)9-5-15-11(13)6-14-9/h5-6,8,10H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide?
5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107258530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).