5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide

C18H14ClFN4O — CID 109282132

IUPAC5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14ClFN4O/c19-13-7-5-12(6-8-13)9-22-17-11-21-16(10-23-17)18(25)24-15-4-2-1-3-14(15)20/h1-8,10-11H,9H2,(H,22,23)(H,24,25)
InChIKeyXMEDLMJRZPDTIN-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.13
Rot. Bonds5

About 5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide

5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 109282132) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
PubChem CID109282132
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H14ClFN4O/c19-13-7-5-12(6-8-13)9-22-17-11-21-16(10-23-17)18(25)24-15-4-2-1-3-14(15)20/h1-8,10-11H,9H2,(H,22,23)(H,24,25)
InChIKeyXMEDLMJRZPDTIN-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

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Related Compounds

N-(2-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282537
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281781
5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281756
2-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 109170960
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
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902
N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(2,6-difluorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283780

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide (CID 109282132) is 5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide is O=C(Nc1ccccc1F)c1cnc(NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is XMEDLMJRZPDTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-13-7-5-12(6-8-13)9-22-17-11-21-16(10-23-17)18(25)24-15-4-2-1-3-14(15)20/h1-8,10-11H,9H2,(H,22,23)(H,24,25).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-(2-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-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109282132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).