N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide

C17H15ClN4O2 — CID 109279476

IUPACN-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(NCc2ccco2)cn1
InChIInChI=1S/C17H15ClN4O2/c18-13-5-3-12(4-6-13)8-22-17(23)15-10-21-16(11-19-15)20-9-14-2-1-7-24-14/h1-7,10-11H,8-9H2,(H,20,21)(H,22,23)
InChIKeyLISFRQZOORHGQD-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.27
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109279476) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109279476
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(NCc2ccco2)cn1
InChIInChI=1S/C17H15ClN4O2/c18-13-5-3-12(4-6-13)8-22-17(23)15-10-21-16(11-19-15)20-9-14-2-1-7-24-14/h1-7,10-11H,8-9H2,(H,20,21)(H,22,23)
InChIKeyLISFRQZOORHGQD-UHFFFAOYSA-N
XLogP3.27
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187489
N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279527
5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109279633
N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279517
5-(furan-2-ylmethylamino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109279520
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109279490
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279581

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide (CID 109279476) is N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cnc(NCc2ccco2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is LISFRQZOORHGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-13-5-3-12(4-6-13)8-22-17(23)15-10-21-16(11-19-15)20-9-14-2-1-7-24-14/h1-7,10-11H,8-9H2,(H,20,21)(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109279476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).