N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide

C18H14Cl2N4O — CID 109290002

IUPACN-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)Nc3cccc(Cl)c3Cl)cn2)c1
InChIInChI=1S/C18H14Cl2N4O/c1-11-4-2-5-12(8-11)23-16-10-21-15(9-22-16)18(25)24-14-7-3-6-13(19)17(14)20/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyQPPDZPMFOJJHBO-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.09
Rot. Bonds4

About N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide

N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide (PubChem CID 109290002) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
PubChem CID109290002
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC NameN-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)Nc3cccc(Cl)c3Cl)cn2)c1
InChIInChI=1S/C18H14Cl2N4O/c1-11-4-2-5-12(8-11)23-16-10-21-15(9-22-16)18(25)24-14-7-3-6-13(19)17(14)20/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyQPPDZPMFOJJHBO-UHFFFAOYSA-N
XLogP5.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
methyl 4-chloro-3-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109289976
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109290006
N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313884
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109294623
N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271537
N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280745
5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291389

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide (CID 109290002) is N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide is Cc1cccc(Nc2cnc(C(=O)Nc3cccc(Cl)c3Cl)cn2)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide?
The InChIKey is QPPDZPMFOJJHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-4-2-5-12(8-11)23-16-10-21-15(9-22-16)18(25)24-14-7-3-6-13(19)17(14)20/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide?
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).