6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide

C13H11Cl2N3O3 — CID 103336862

IUPAC6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(Cl)n2)c(OC)cc1Cl
InChIInChI=1S/C13H11Cl2N3O3/c1-20-10-4-8(11(21-2)3-7(10)14)18-13(19)9-5-16-6-12(15)17-9/h3-6H,1-2H3,(H,18,19)
InChIKeyMQQKCSQUIXQIEZ-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.05
Rot. Bonds4

About 6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide

6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 103336862) has the molecular formula C13H11Cl2N3O3 and a molecular weight of 328.16 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
PubChem CID103336862
Molecular FormulaC13H11Cl2N3O3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(Cl)n2)c(OC)cc1Cl
InChIInChI=1S/C13H11Cl2N3O3/c1-20-10-4-8(11(21-2)3-7(10)14)18-13(19)9-5-16-6-12(15)17-9/h3-6H,1-2H3,(H,18,19)
InChIKeyMQQKCSQUIXQIEZ-UHFFFAOYSA-N
XLogP3.05
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide
CID 17433781
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide
CID 96596464
N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648532
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 60859836
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323660
3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109102088
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide (CID 103336862) is 6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide is COc1cc(NC(=O)c2cncc(Cl)n2)c(OC)cc1Cl.
What is the InChIKey of 6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is MQQKCSQUIXQIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3/c1-20-10-4-8(11(21-2)3-7(10)14)18-13(19)9-5-16-6-12(15)17-9/h3-6H,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide?
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 328.16 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103336862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).