5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

C20H19ClN4O2 — CID 109282443

IUPAC5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3C)cn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-13-9-15(21)5-8-17(13)25-19-12-22-18(11-23-19)20(26)24-10-14-3-6-16(27-2)7-4-14/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCVEOFNRRJCLNJJ-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.12
Rot. Bonds6

About 5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109282443) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109282443
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3C)cn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-13-9-15(21)5-8-17(13)25-19-12-22-18(11-23-19)20(26)24-10-14-3-6-16(27-2)7-4-14/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCVEOFNRRJCLNJJ-UHFFFAOYSA-N
XLogP4.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282419
N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109282055
N-[(4-methoxyphenyl)methyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109282478
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
5-(4-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192765
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283625
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284865
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 109282443) is 5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cnc(Nc3ccc(Cl)cc3C)cn2)cc1.
What is the InChIKey of 5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is CVEOFNRRJCLNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-9-15(21)5-8-17(13)25-19-12-22-18(11-23-19)20(26)24-10-14-3-6-16(27-2)7-4-14/h3-9,11-12H,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109282443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).