N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide

C17H21ClN4O — CID 109272973

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)CNc1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H21ClN4O/c1-12(2)9-21-16-11-20-15(10-22-16)17(23)19-8-7-13-3-5-14(18)6-4-13/h3-6,10-12H,7-9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyOKNRTZCJHPFBSV-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.17
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide (PubChem CID 109272973) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
PubChem CID109272973
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)CNc1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H21ClN4O/c1-12(2)9-21-16-11-20-15(10-22-16)17(23)19-8-7-13-3-5-14(18)6-4-13/h3-6,10-12H,7-9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyOKNRTZCJHPFBSV-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109273358
N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781
N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273098
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151889
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273038
N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide
CID 109285769

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide (CID 109272973) is N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide is CC(C)CNc1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The InChIKey is OKNRTZCJHPFBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12(2)9-21-16-11-20-15(10-22-16)17(23)19-8-7-13-3-5-14(18)6-4-13/h3-6,10-12H,7-9H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).