N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide

C17H21ClN4O — CID 109288269

IUPACN-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(Cl)cc2C)cn1
InChIInChI=1S/C17H21ClN4O/c1-4-5-8-22(3)17(23)15-10-20-16(11-19-15)21-14-7-6-13(18)9-12(14)2/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyOESBWRSPDXODJS-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.05
Rot. Bonds6

About N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide

N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109288269) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
PubChem CID109288269
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(Cl)cc2C)cn1
InChIInChI=1S/C17H21ClN4O/c1-4-5-8-22(3)17(23)15-10-20-16(11-19-15)21-14-7-6-13(18)9-12(14)2/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyOESBWRSPDXODJS-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloro-2-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288935
N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
5-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291721
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide
CID 109288332
5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288311
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288254
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(2,5-dichloroanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288990
5-(2,4-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286836
N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847113
N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide (CID 109288269) is N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2ccc(Cl)cc2C)cn1.
What is the InChIKey of N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide?
The InChIKey is OESBWRSPDXODJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-4-5-8-22(3)17(23)15-10-20-16(11-19-15)21-14-7-6-13(18)9-12(14)2/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21).
What are the key properties of N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide?
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109288269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).