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

C11H17ClN4O2 — CID 106551650

IUPAC6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCOCCNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H17ClN4O2/c1-16(2)4-6-18-5-3-14-11(17)9-7-13-8-10(12)15-9/h7-8H,3-6H2,1-2H3,(H,14,17)
InChIKeyCJYQWAODTISJEL-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.44
Rot. Bonds7

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

6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide (PubChem CID 106551650) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
PubChem CID106551650
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCOCCNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H17ClN4O2/c1-16(2)4-6-18-5-3-14-11(17)9-7-13-8-10(12)15-9/h7-8H,3-6H2,1-2H3,(H,14,17)
InChIKeyCJYQWAODTISJEL-UHFFFAOYSA-N
XLogP0.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide
CID 106551316
2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
CID 114127211
6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 103186784
6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide
CID 106551219
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
CID 113384171
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide
CID 106812685
6-chloro-N-[2-(3-methylphenoxy)ethyl]pyrazine-2-carboxamide
CID 103186858
6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 106551326
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
CID 103186993
6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 106551480
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide (CID 106551650) is 6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide is CN(C)CCOCCNC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide?
The InChIKey is CJYQWAODTISJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-16(2)4-6-18-5-3-14-11(17)9-7-13-8-10(12)15-9/h7-8H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide?
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide has a molecular weight of 272.74 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).