N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide

C17H21ClN4O — CID 109285769

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide
SMILESCCN(CC)c1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H21ClN4O/c1-3-22(4-2)16-12-20-15(11-21-16)17(23)19-10-9-13-5-7-14(18)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeyLAVJYJOCAOVADR-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide (PubChem CID 109285769) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide
PubChem CID109285769
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide
SMILESCCN(CC)c1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H21ClN4O/c1-3-22(4-2)16-12-20-15(11-21-16)17(23)19-10-9-13-5-7-14(18)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeyLAVJYJOCAOVADR-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109282839
N-[2-(4-chlorophenyl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285784
5-(diethylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109285735
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109273358
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109181634
N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691406
5-(N-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283821
5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285779
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide (CID 109285769) is N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide is CCN(CC)c1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide?
The InChIKey is LAVJYJOCAOVADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-22(4-2)16-12-20-15(11-21-16)17(23)19-10-9-13-5-7-14(18)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109285769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).