N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide

C18H17ClN4O2 — CID 109279527

IUPACN-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cnc(NCc2ccco2)cn1
InChIInChI=1S/C18H17ClN4O2/c19-14-4-1-3-13(9-14)6-7-20-18(24)16-11-23-17(12-21-16)22-10-15-5-2-8-25-15/h1-5,8-9,11-12H,6-7,10H2,(H,20,24)(H,22,23)
InChIKeyOJWURPFISZDAKN-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109279527) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109279527
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cnc(NCc2ccco2)cn1
InChIInChI=1S/C18H17ClN4O2/c19-14-4-1-3-13(9-14)6-7-20-18(24)16-11-23-17(12-21-16)22-10-15-5-2-8-25-15/h1-5,8-9,11-12H,6-7,10H2,(H,20,24)(H,22,23)
InChIKeyOJWURPFISZDAKN-UHFFFAOYSA-N
XLogP3.31
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367979
N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279476
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109279490
N-[2-(3-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282308
N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109272422
5-(furan-2-ylmethylamino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109279520
N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109275380
N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)acetamide
CID 110690667
N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279517
5-chloro-N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107236571
N-cyclopentyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109273898

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide (CID 109279527) is N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cnc(NCc2ccco2)cn1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is OJWURPFISZDAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-14-4-1-3-13(9-14)6-7-20-18(24)16-11-23-17(12-21-16)22-10-15-5-2-8-25-15/h1-5,8-9,11-12H,6-7,10H2,(H,20,24)(H,22,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109279527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).