N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide

C19H26N4O — CID 109288254

IUPACN-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2c(C)cccc2CC)cn1
InChIInChI=1S/C19H26N4O/c1-5-7-11-23(4)19(24)16-12-21-17(13-20-16)22-18-14(3)9-8-10-15(18)6-2/h8-10,12-13H,5-7,11H2,1-4H3,(H,21,22)
InChIKeyPPRIKZVMMHDONM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.96
Rot. Bonds7

About N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide

N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109288254) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
PubChem CID109288254
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2c(C)cccc2CC)cn1
InChIInChI=1S/C19H26N4O/c1-5-7-11-23(4)19(24)16-12-21-17(13-20-16)22-18-14(3)9-8-10-15(18)6-2/h8-10,12-13H,5-7,11H2,1-4H3,(H,21,22)
InChIKeyPPRIKZVMMHDONM-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195948
N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288311
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
CID 109288338
N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
CID 109282031
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
[5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276475

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide (CID 109288254) is N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2c(C)cccc2CC)cn1.
What is the InChIKey of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide?
The InChIKey is PPRIKZVMMHDONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-7-11-23(4)19(24)16-12-21-17(13-20-16)22-18-14(3)9-8-10-15(18)6-2/h8-10,12-13H,5-7,11H2,1-4H3,(H,21,22).
What are the key properties of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide?
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109288254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).