N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide

C17H21ClN4O — CID 109273196

IUPACN-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C17H21ClN4O/c1-3-12(2)22-17(23)15-10-21-16(11-20-15)19-8-7-13-5-4-6-14(18)9-13/h4-6,9-12H,3,7-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyTVGDEFRPECDTBF-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.31
Rot. Bonds7

About N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide

N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109273196) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
PubChem CID109273196
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC NameN-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C17H21ClN4O/c1-3-12(2)22-17(23)15-10-21-16(11-20-15)19-8-7-13-5-4-6-14(18)9-13/h4-6,9-12H,3,7-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyTVGDEFRPECDTBF-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289171
N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109272422
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109289157
5-[2-(3-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289155
4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109080015
N-(1,3-benzodioxol-5-yl)-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109289187
N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340810
5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271241
N-[2-(3-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282308
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360655
N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279527
N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109273143

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide (CID 109273196) is N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide is CCC(C)NC(=O)c1cnc(NCCc2cccc(Cl)c2)cn1.
What is the InChIKey of N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is TVGDEFRPECDTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-12(2)22-17(23)15-10-21-16(11-20-15)19-8-7-13-5-4-6-14(18)9-13/h4-6,9-12H,3,7-8H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109273196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).