N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide

C21H19ClN4O2 — CID 109285861

IUPACN-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(NCCc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)16-3-2-4-18(11-16)26-21(28)19-12-25-20(13-24-19)23-10-9-15-5-7-17(22)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,23,25)(H,26,28)
InChIKeyMIAOYTYTGGBYSS-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.24
Rot. Bonds7

About N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide

N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109285861) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
PubChem CID109285861
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(NCCc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)16-3-2-4-18(11-16)26-21(28)19-12-25-20(13-24-19)23-10-9-15-5-7-17(22)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,23,25)(H,26,28)
InChIKeyMIAOYTYTGGBYSS-UHFFFAOYSA-N
XLogP4.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109282153
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
N-(4-acetylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284566
N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109284021
5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109289139
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109289157
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284529

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide (CID 109285861) is N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc(NCCc3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is MIAOYTYTGGBYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14(27)16-3-2-4-18(11-16)26-21(28)19-12-25-20(13-24-19)23-10-9-15-5-7-17(22)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,23,25)(H,26,28).
What are the key properties of N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109285861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).