N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide

C12H9ClIN3O — CID 113257804

IUPACN-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(Cl)cc2I)cn1
InChIInChI=1S/C12H9ClIN3O/c1-7-5-16-11(6-15-7)12(18)17-10-3-2-8(13)4-9(10)14/h2-6H,1H3,(H,17,18)
InChIKeyXRADJNUEUVFFNF-UHFFFAOYSA-N
MW373.58 g/mol
LogP3.30
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide

N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide (PubChem CID 113257804) has the molecular formula C12H9ClIN3O and a molecular weight of 373.58 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide
PubChem CID113257804
Molecular FormulaC12H9ClIN3O
Molecular Weight373.58 g/mol
Exact Mass372.95
IUPAC NameN-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(Cl)cc2I)cn1
InChIInChI=1S/C12H9ClIN3O/c1-7-5-16-11(6-15-7)12(18)17-10-3-2-8(13)4-9(10)14/h2-6H,1H3,(H,17,18)
InChIKeyXRADJNUEUVFFNF-UHFFFAOYSA-N
XLogP3.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897
N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970
N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881032
N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103766730
N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107631403
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-(4-acetamido-3-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 46421778
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide (CID 113257804) is N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(Cl)cc2I)cn1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is XRADJNUEUVFFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClIN3O/c1-7-5-16-11(6-15-7)12(18)17-10-3-2-8(13)4-9(10)14/h2-6H,1H3,(H,17,18).
What are the key properties of N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide?
N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 373.58 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 113257804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).