5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide

C12H8Cl3N3O — CID 71655570

IUPAC5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cnc(Cl)cn1
InChIInChI=1S/C12H8Cl3N3O/c13-8-2-1-7(9(14)3-8)4-18-12(19)10-5-17-11(15)6-16-10/h1-3,5-6H,4H2,(H,18,19)
InChIKeyRZRSAIBOIJPRAG-UHFFFAOYSA-N
MW316.58 g/mol
LogP3.37
Rot. Bonds3

About 5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 71655570) has the molecular formula C12H8Cl3N3O and a molecular weight of 316.58 g/mol. Its IUPAC name is 5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID71655570
Molecular FormulaC12H8Cl3N3O
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cnc(Cl)cn1
InChIInChI=1S/C12H8Cl3N3O/c13-8-2-1-7(9(14)3-8)4-18-12(19)10-5-17-11(15)6-16-10/h1-3,5-6H,4H2,(H,18,19)
InChIKeyRZRSAIBOIJPRAG-UHFFFAOYSA-N
XLogP3.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147414
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997
3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide
CID 22992257

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide (CID 71655570) is 5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is RZRSAIBOIJPRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O/c13-8-2-1-7(9(14)3-8)4-18-12(19)10-5-17-11(15)6-16-10/h1-3,5-6H,4H2,(H,18,19).
What are the key properties of 5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 316.58 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71655570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).