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

C20H19ClN4O — CID 109285781

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccccc1Nc1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H19ClN4O/c1-14-4-2-3-5-17(14)25-19-13-23-18(12-24-19)20(26)22-11-10-15-6-8-16(21)9-7-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,24,25)
InChIKeyHLVMNUBXOQXYFE-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.15
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide (PubChem CID 109285781) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
PubChem CID109285781
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccccc1Nc1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H19ClN4O/c1-14-4-2-3-5-17(14)25-19-13-23-18(12-24-19)20(26)22-11-10-15-6-8-16(21)9-7-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,24,25)
InChIKeyHLVMNUBXOQXYFE-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284865
5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287011
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109273358
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284282

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide (CID 109285781) is N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide is Cc1ccccc1Nc1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
The InChIKey is HLVMNUBXOQXYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-4-2-3-5-17(14)25-19-13-23-18(12-24-19)20(26)22-11-10-15-6-8-16(21)9-7-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.15, 6 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-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109285781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).