6-chloro-N,N-dipropylpyrazine-2-carboxamide

C11H16ClN3O — CID 103186958

IUPAC6-chloro-N,N-dipropylpyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-3-5-15(6-4-2)11(16)9-7-13-8-10(12)14-9/h7-8H,3-6H2,1-2H3
InChIKeyNTUIWKPIDRZIMX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.39
Rot. Bonds5

About 6-chloro-N,N-dipropylpyrazine-2-carboxamide

6-chloro-N,N-dipropylpyrazine-2-carboxamide (PubChem CID 103186958) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-N,N-dipropylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-dipropylpyrazine-2-carboxamide
PubChem CID103186958
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-N,N-dipropylpyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-3-5-15(6-4-2)11(16)9-7-13-8-10(12)14-9/h7-8H,3-6H2,1-2H3
InChIKeyNTUIWKPIDRZIMX-UHFFFAOYSA-N
XLogP2.39
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dipropylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N,N-dipropylpyrazine-2-carboxamide (CID 103186958) is 6-chloro-N,N-dipropylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N,N-dipropylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N,N-dipropylpyrazine-2-carboxamide is CCCN(CCC)C(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N,N-dipropylpyrazine-2-carboxamide?
The InChIKey is NTUIWKPIDRZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-5-15(6-4-2)11(16)9-7-13-8-10(12)14-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-chloro-N,N-dipropylpyrazine-2-carboxamide?
6-chloro-N,N-dipropylpyrazine-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dipropylpyrazine-2-carboxamide is sourced from PubChem (CID 103186958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).