5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide

C19H16Cl2N4O — CID 109283887

IUPAC5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C19H16Cl2N4O/c20-15-7-6-14(10-16(15)21)25-18-12-23-17(11-24-18)19(26)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,26)(H,24,25)
InChIKeyHGAADMLQRUVZPA-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.50
Rot. Bonds6

About 5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide

5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 109283887) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID109283887
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C19H16Cl2N4O/c20-15-7-6-14(10-16(15)21)25-18-12-23-17(11-24-18)19(26)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,26)(H,24,25)
InChIKeyHGAADMLQRUVZPA-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287011
5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284289
5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281399
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191800
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
CID 109279730
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
5-(3,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284497
5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109289139
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 109283887) is 5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide is O=C(NCCc1ccccc1)c1cnc(Nc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is HGAADMLQRUVZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-15-7-6-14(10-16(15)21)25-18-12-23-17(11-24-18)19(26)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,26)(H,24,25).
What are the key properties of 5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide?
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).