6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide

C12H19ClN4O — CID 106551556

IUPAC6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H19ClN4O/c1-4-5-17(7-6-16(2)3)12(18)10-8-14-9-11(13)15-10/h8-9H,4-7H2,1-3H3
InChIKeyVPXRZTAGJNQPPG-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.54
Rot. Bonds6

About 6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide

6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide (PubChem CID 106551556) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide
PubChem CID106551556
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H19ClN4O/c1-4-5-17(7-6-16(2)3)12(18)10-8-14-9-11(13)15-10/h8-9H,4-7H2,1-3H3
InChIKeyVPXRZTAGJNQPPG-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide (CID 106551556) is 6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide is CCCN(CCN(C)C)C(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide?
The InChIKey is VPXRZTAGJNQPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-4-5-17(7-6-16(2)3)12(18)10-8-14-9-11(13)15-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide?
6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 106551556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).