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

C12H17ClN4O2 — CID 103337318

IUPAC6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H17ClN4O2/c1-4-5-17(8-11(18)16(2)3)12(19)9-6-14-7-10(13)15-9/h6-7H,4-5,8H2,1-3H3
InChIKeyXKXALQZZSBGSDV-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.07
Rot. Bonds5

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

6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide (PubChem CID 103337318) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
PubChem CID103337318
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H17ClN4O2/c1-4-5-17(8-11(18)16(2)3)12(19)9-6-14-7-10(13)15-9/h6-7H,4-5,8H2,1-3H3
InChIKeyXKXALQZZSBGSDV-UHFFFAOYSA-N
XLogP1.07
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.07
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)-2-oxoethyl]-N-propylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide (CID 103337318) is 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide is CCCN(CC(=O)N(C)C)C(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide?
The InChIKey is XKXALQZZSBGSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-4-5-17(8-11(18)16(2)3)12(19)9-6-14-7-10(13)15-9/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide?
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 1.07, 5 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)-2-oxoethyl]-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 103337318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).