N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide

C18H13Cl2FN4O — CID 109281781

IUPACN-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C18H13Cl2FN4O/c19-13-2-1-3-14(17(13)20)25-18(26)15-9-24-16(10-22-15)23-8-11-4-6-12(21)7-5-11/h1-7,9-10H,8H2,(H,23,24)(H,25,26)
InChIKeyDTORYPCJSNZOSG-UHFFFAOYSA-N
MW391.23 g/mol
LogP4.79
Rot. Bonds5

About N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide

N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109281781) has the molecular formula C18H13Cl2FN4O and a molecular weight of 391.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109281781
Molecular FormulaC18H13Cl2FN4O
Molecular Weight391.23 g/mol
Exact Mass390.05
IUPAC NameN-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C18H13Cl2FN4O/c19-13-2-1-3-14(17(13)20)25-18(26)15-9-24-16(10-22-15)23-8-11-4-6-12(21)7-5-11/h1-7,9-10H,8H2,(H,23,24)(H,25,26)
InChIKeyDTORYPCJSNZOSG-UHFFFAOYSA-N
XLogP4.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280745
N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281756
5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109282132
N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281748
N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281739
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294513
N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109294623
N-(3-chloro-2-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282542
5-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189695

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide (CID 109281781) is N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cnc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is DTORYPCJSNZOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4O/c19-13-2-1-3-14(17(13)20)25-18(26)15-9-24-16(10-22-15)23-8-11-4-6-12(21)7-5-11/h1-7,9-10H,8H2,(H,23,24)(H,25,26).
What are the key properties of N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 391.23 g/mol, XLogP of 4.79, 5 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-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109281781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).