N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide

C19H17ClN4O — CID 109281096

IUPACN-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H17ClN4O/c1-24(13-14-5-3-2-4-6-14)19(25)17-11-22-18(12-21-17)23-16-9-7-15(20)8-10-16/h2-12H,13H2,1H3,(H,22,23)
InChIKeyKWASQYXJMWBIAC-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.15
Rot. Bonds5

About N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide

N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109281096) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
PubChem CID109281096
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H17ClN4O/c1-24(13-14-5-3-2-4-6-14)19(25)17-11-22-18(12-21-17)23-16-9-7-15(20)8-10-16/h2-12H,13H2,1H3,(H,22,23)
InChIKeyKWASQYXJMWBIAC-UHFFFAOYSA-N
XLogP4.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109281113
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
CID 109281131
N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287011
N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109189200
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide (CID 109281096) is N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide?
The InChIKey is KWASQYXJMWBIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-24(13-14-5-3-2-4-6-14)19(25)17-11-22-18(12-21-17)23-16-9-7-15(20)8-10-16/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide?
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109281096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).