5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide

C18H15ClN4O — CID 109290226

IUPAC5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnc(Nc2ccccc2Cl)cn1)c1ccccc1
InChIInChI=1S/C18H15ClN4O/c1-23(13-7-3-2-4-8-13)18(24)16-11-21-17(12-20-16)22-15-10-6-5-9-14(15)19/h2-12H,1H3,(H,21,22)
InChIKeyJJILVSFYAGRGQY-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.15
Rot. Bonds4

About 5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide

5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide (PubChem CID 109290226) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
PubChem CID109290226
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnc(Nc2ccccc2Cl)cn1)c1ccccc1
InChIInChI=1S/C18H15ClN4O/c1-23(13-7-3-2-4-8-13)18(24)16-11-21-17(12-20-16)22-15-10-6-5-9-14(15)19/h2-12H,1H3,(H,21,22)
InChIKeyJJILVSFYAGRGQY-UHFFFAOYSA-N
XLogP4.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethoxyanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290242
5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290227
5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290211
N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287680
5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291719
N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109290299
5-[4-(diethylamino)anilino]-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290262
methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290259
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
5-(2,3-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286840
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide (CID 109290226) is 5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide is CN(C(=O)c1cnc(Nc2ccccc2Cl)cn1)c1ccccc1.
What is the InChIKey of 5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is JJILVSFYAGRGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-23(13-7-3-2-4-8-13)18(24)16-11-21-17(12-20-16)22-15-10-6-5-9-14(15)19/h2-12H,1H3,(H,21,22).
What are the key properties of 5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109290226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).