N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide

C18H11Cl2N5O — CID 109294627

IUPACN-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc(Nc3cccc(Cl)c3Cl)cn2)c1
InChIInChI=1S/C18H11Cl2N5O/c19-13-5-2-6-14(17(13)20)25-16-10-22-15(9-23-16)18(26)24-12-4-1-3-11(7-12)8-21/h1-7,9-10H,(H,23,25)(H,24,26)
InChIKeyBUYLOLNUXQJHEE-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.65
Rot. Bonds4

About N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide

N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide (PubChem CID 109294627) has the molecular formula C18H11Cl2N5O and a molecular weight of 384.23 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
PubChem CID109294627
Molecular FormulaC18H11Cl2N5O
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC NameN-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc(Nc3cccc(Cl)c3Cl)cn2)c1
InChIInChI=1S/C18H11Cl2N5O/c19-13-5-2-6-14(17(13)20)25-16-10-22-15(9-23-16)18(26)24-12-4-1-3-11(7-12)8-21/h1-7,9-10H,(H,23,25)(H,24,26)
InChIKeyBUYLOLNUXQJHEE-UHFFFAOYSA-N
XLogP4.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide
CID 109270661
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293839
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109292172
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109287332
5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide (CID 109294627) is N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide is N#Cc1cccc(NC(=O)c2cnc(Nc3cccc(Cl)c3Cl)cn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide?
The InChIKey is BUYLOLNUXQJHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O/c19-13-5-2-6-14(17(13)20)25-16-10-22-15(9-23-16)18(26)24-12-4-1-3-11(7-12)8-21/h1-7,9-10H,(H,23,25)(H,24,26).
What are the key properties of N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide?
N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).