N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide

C15H17ClN4O — CID 109286897

IUPACN-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
SMILESCCN(CC)c1cnc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H17ClN4O/c1-3-20(4-2)14-10-17-13(9-18-14)15(21)19-12-7-5-6-11(16)8-12/h5-10H,3-4H2,1-2H3,(H,19,21)
InChIKeyAPROJRPHJUQELY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.23
Rot. Bonds5

About N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide

N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide (PubChem CID 109286897) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
PubChem CID109286897
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
SMILESCCN(CC)c1cnc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H17ClN4O/c1-3-20(4-2)14-10-17-13(9-18-14)15(21)19-12-7-5-6-11(16)8-12/h5-10H,3-4H2,1-2H3,(H,19,21)
InChIKeyAPROJRPHJUQELY-UHFFFAOYSA-N
XLogP3.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194760
5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109282890
5-(diethylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109286882
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
4-chloro-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 60785572
6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide
CID 109285769
N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264675
5-(diethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109286891
N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353335
N-(2-cyanophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286969
N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290357

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide (CID 109286897) is N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide is CCN(CC)c1cnc(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide?
The InChIKey is APROJRPHJUQELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-20(4-2)14-10-17-13(9-18-14)15(21)19-12-7-5-6-11(16)8-12/h5-10H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide?
N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109286897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).