5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide

C18H15ClN4O — CID 109290227

IUPAC5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnc(Nc2cccc(Cl)c2)cn1)c1ccccc1
InChIInChI=1S/C18H15ClN4O/c1-23(15-8-3-2-4-9-15)18(24)16-11-21-17(12-20-16)22-14-7-5-6-13(19)10-14/h2-12H,1H3,(H,21,22)
InChIKeyMLWGKDAKSAPFDX-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.15
Rot. Bonds4

About 5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide

5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide (PubChem CID 109290227) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
PubChem CID109290227
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnc(Nc2cccc(Cl)c2)cn1)c1ccccc1
InChIInChI=1S/C18H15ClN4O/c1-23(15-8-3-2-4-9-15)18(24)16-11-21-17(12-20-16)22-14-7-5-6-13(19)10-14/h2-12H,1H3,(H,21,22)
InChIKeyMLWGKDAKSAPFDX-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-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290226
5-(3-chloroanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109292815
5-(2,6-dimethylanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290211
5-(3,5-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197632
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-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109290299
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109287259
5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 109292809
N-ethyl-5-(3-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291751
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide (CID 109290227) is 5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide is CN(C(=O)c1cnc(Nc2cccc(Cl)c2)cn1)c1ccccc1.
What is the InChIKey of 5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is MLWGKDAKSAPFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-23(15-8-3-2-4-9-15)18(24)16-11-21-17(12-20-16)22-14-7-5-6-13(19)10-14/h2-12H,1H3,(H,21,22).
What are the key properties of 5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide?
5-(3-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-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109290227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).