5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide

C20H19ClN4O — CID 109283846

IUPAC5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cnc(C(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C20H19ClN4O/c1-14-7-8-16(21)11-17(14)25-19-13-23-18(12-24-19)20(26)22-10-9-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,22,26)(H,24,25)
InChIKeyBJYGTBPJDUUITG-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.15
Rot. Bonds6

About 5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide

5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 109283846) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID109283846
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cnc(C(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C20H19ClN4O/c1-14-7-8-16(21)11-17(14)25-19-13-23-18(12-24-19)20(26)22-10-9-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,22,26)(H,24,25)
InChIKeyBJYGTBPJDUUITG-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-methylanilino)pyrazine-2-carboxamide
CID 109285781
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283887
5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280832
5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109292659
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-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284737
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
5-(5-chloro-2-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271670
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 109283846) is 5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide is Cc1ccc(Cl)cc1Nc1cnc(C(=O)NCCc2ccccc2)cn1.
What is the InChIKey of 5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is BJYGTBPJDUUITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-7-8-16(21)11-17(14)25-19-13-23-18(12-24-19)20(26)22-10-9-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide?
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)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 5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).