N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide

C18H22Cl2N4O — CID 109288120

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H22Cl2N4O/c1-2-3-4-8-21-17-12-23-16(11-24-17)18(25)22-9-7-13-5-6-14(19)10-15(13)20/h5-6,10-12H,2-4,7-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyGSVPWMQWPFIQPT-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.36
Rot. Bonds9

About N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide (PubChem CID 109288120) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide
PubChem CID109288120
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H22Cl2N4O/c1-2-3-4-8-21-17-12-23-16(11-24-17)18(25)22-9-7-13-5-6-14(19)10-15(13)20/h5-6,10-12H,2-4,7-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyGSVPWMQWPFIQPT-UHFFFAOYSA-N
XLogP4.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.36
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

5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271241
N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109272422
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109288225
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183900
6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109353733
2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109263983
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185349
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288125

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide (CID 109288120) is N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide is CCCCCNc1cnc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide?
The InChIKey is GSVPWMQWPFIQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-2-3-4-8-21-17-12-23-16(11-24-17)18(25)22-9-7-13-5-6-14(19)10-15(13)20/h5-6,10-12H,2-4,7-9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109288120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).