5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide

C18H14ClFN4O — CID 109281970

IUPAC5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(NCc2ccccc2Cl)cn1
InChIInChI=1S/C18H14ClFN4O/c19-15-7-2-1-4-12(15)9-22-17-11-21-16(10-23-17)18(25)24-14-6-3-5-13(20)8-14/h1-8,10-11H,9H2,(H,22,23)(H,24,25)
InChIKeyCOBODKKTFLINDV-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.13
Rot. Bonds5

About 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide

5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 109281970) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide
PubChem CID109281970
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(NCc2ccccc2Cl)cn1
InChIInChI=1S/C18H14ClFN4O/c19-15-7-2-1-4-12(15)9-22-17-11-21-16(10-23-17)18(25)24-14-6-3-5-13(20)8-14/h1-8,10-11H,9H2,(H,22,23)(H,24,25)
InChIKeyCOBODKKTFLINDV-UHFFFAOYSA-N
XLogP4.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281944
N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109284703
5-[(2-fluorophenyl)methylamino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109281495
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634
N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280199
5-(2-fluoroanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109292440
N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281939
N-(3-chlorophenyl)-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156799
N-(3,5-dichlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294372
N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282335
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109348543

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide (CID 109281970) is 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide is O=C(Nc1cccc(F)c1)c1cnc(NCc2ccccc2Cl)cn1.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is COBODKKTFLINDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-15-7-2-1-4-12(15)9-22-17-11-21-16(10-23-17)18(25)24-14-6-3-5-13(20)8-14/h1-8,10-11H,9H2,(H,22,23)(H,24,25).
What are the key properties of 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide?
5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109281970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).