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

C17H21ClN4O — CID 109272422

IUPACN-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C17H21ClN4O/c1-2-3-8-20-17(23)15-11-22-16(12-21-15)19-9-7-13-5-4-6-14(18)10-13/h4-6,10-12H,2-3,7-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyXRDHYSSDDDSXIF-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.31
Rot. Bonds8

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

N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109272422) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
PubChem CID109272422
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C17H21ClN4O/c1-2-3-8-20-17(23)15-11-22-16(12-21-15)19-9-7-13-5-4-6-14(18)10-13/h4-6,10-12H,2-3,7-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyXRDHYSSDDDSXIF-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109273196
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
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
N-[2-(3-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282308
5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289171
N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide
CID 109288120
N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279527
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
CID 109280397
5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109289139
N-(1,3-benzodioxol-5-yl)-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109289187

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide (CID 109272422) is N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide is CCCCNC(=O)c1cnc(NCCc2cccc(Cl)c2)cn1.
What is the InChIKey of N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is XRDHYSSDDDSXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-2-3-8-20-17(23)15-11-22-16(12-21-15)19-9-7-13-5-4-6-14(18)10-13/h4-6,10-12H,2-3,7-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide?
N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109272422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).