N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide

C21H21ClN4O2 — CID 109282790

IUPACN-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(OC)c(Cl)c2)cn1
InChIInChI=1S/C21H21ClN4O2/c1-3-26(14-15-7-5-4-6-8-15)21(27)18-12-24-20(13-23-18)25-16-9-10-19(28-2)17(22)11-16/h4-13H,3,14H2,1-2H3,(H,24,25)
InChIKeyNMTNIJMUKRMBCJ-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.54
Rot. Bonds7

About N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide

N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide (PubChem CID 109282790) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide
PubChem CID109282790
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(OC)c(Cl)c2)cn1
InChIInChI=1S/C21H21ClN4O2/c1-3-26(14-15-7-5-4-6-8-15)21(27)18-12-24-20(13-23-18)25-16-9-10-19(28-2)17(22)11-16/h4-13H,3,14H2,1-2H3,(H,24,25)
InChIKeyNMTNIJMUKRMBCJ-UHFFFAOYSA-N
XLogP4.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
CID 109279730
methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109282808
N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282799
N-benzyl-6-(3-chloro-4-methoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109347955
N-benzyl-N-ethyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109282777
N-benzyl-2-(3,4-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258399
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293298
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
azepan-1-yl-[5-(3-chloro-4-methoxyanilino)pyrazin-2-yl]methanone
CID 109289240
N-(3-chloro-4-methoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283971
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide (CID 109282790) is N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(OC)c(Cl)c2)cn1.
What is the InChIKey of N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide?
The InChIKey is NMTNIJMUKRMBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-3-26(14-15-7-5-4-6-8-15)21(27)18-12-24-20(13-23-18)25-16-9-10-19(28-2)17(22)11-16/h4-13H,3,14H2,1-2H3,(H,24,25).
What are the key properties of N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide?
N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 109282790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).