N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide

C11H8Cl2N4O — CID 16770775

IUPACN-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide
SMILESNc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C11H8Cl2N4O/c12-7-3-6(14)4-8(13)10(7)17-11(18)9-5-15-1-2-16-9/h1-5H,14H2,(H,17,18)
InChIKeyHDTIXAFOBHHHJE-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.62
Rot. Bonds2

About N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide

N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide (PubChem CID 16770775) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide
PubChem CID16770775
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC NameN-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide
SMILESNc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C11H8Cl2N4O/c12-7-3-6(14)4-8(13)10(7)17-11(18)9-5-15-1-2-16-9/h1-5H,14H2,(H,17,18)
InChIKeyHDTIXAFOBHHHJE-UHFFFAOYSA-N
XLogP2.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide
CID 119326808
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide
CID 63380982
N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide
CID 119789147
4-amino-N-(2,6-dichloro-4-fluorophenyl)pyridine-2-carboxamide
CID 83079445
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
5-amino-N-(2,6-dichloro-4-fluorophenyl)pyridine-2-carboxamide
CID 83076458
N-(2,4,5-trimethylphenyl)pyrazine-2-carboxamide
CID 110792925
N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687
N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16775776
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide (CID 16770775) is N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide is Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide?
The InChIKey is HDTIXAFOBHHHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c12-7-3-6(14)4-8(13)10(7)17-11(18)9-5-15-1-2-16-9/h1-5H,14H2,(H,17,18).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide?
N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide has a molecular weight of 283.12 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 16770775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).