N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide

C12H10ClIN4O — CID 107606098

IUPACN-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(I)cc2Cl)cn1
InChIInChI=1S/C12H10ClIN4O/c1-15-11-6-16-10(5-17-11)12(19)18-9-3-2-7(14)4-8(9)13/h2-6H,1H3,(H,15,17)(H,18,19)
InChIKeyMYYMJGDLQKCJHE-UHFFFAOYSA-N
MW388.60 g/mol
LogP3.03
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide

N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 107606098) has the molecular formula C12H10ClIN4O and a molecular weight of 388.60 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide
PubChem CID107606098
Molecular FormulaC12H10ClIN4O
Molecular Weight388.60 g/mol
Exact Mass387.96
IUPAC NameN-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(I)cc2Cl)cn1
InChIInChI=1S/C12H10ClIN4O/c1-15-11-6-16-10(5-17-11)12(19)18-9-3-2-7(14)4-8(9)13/h2-6H,1H3,(H,15,17)(H,18,19)
InChIKeyMYYMJGDLQKCJHE-UHFFFAOYSA-N
XLogP3.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107606074
N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107373971
N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374291
5-(methylamino)-N-pyridin-4-ylpyrazine-2-carboxamide
CID 107374325
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107606045
N-(4-bromo-2-chlorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922117
N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375271
N-(2,5-dimethoxyphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374016
6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide
CID 61052994
N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374238
2-amino-5-chloro-N-(2-chloro-4-iodophenyl)pyridine-4-carboxamide
CID 107606018

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide (CID 107606098) is N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)Nc2ccc(I)cc2Cl)cn1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is MYYMJGDLQKCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN4O/c1-15-11-6-16-10(5-17-11)12(19)18-9-3-2-7(14)4-8(9)13/h2-6H,1H3,(H,15,17)(H,18,19).
What are the key properties of N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide?
N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 388.60 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107606098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).