5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide

C18H22N4O2 — CID 109287829

IUPAC5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)NCCC(C)C)cn2)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)7-8-19-18(24)16-10-21-17(11-20-16)22-15-6-4-5-14(9-15)13(3)23/h4-6,9-12H,7-8H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyNNHWFGZFCWCZCA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.20
Rot. Bonds7

About 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide

5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide (PubChem CID 109287829) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
PubChem CID109287829
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)NCCC(C)C)cn2)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)7-8-19-18(24)16-10-21-17(11-20-16)22-15-6-4-5-14(9-15)13(3)23/h4-6,9-12H,7-8H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyNNHWFGZFCWCZCA-UHFFFAOYSA-N
XLogP3.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-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

5-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109289139
6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099391
5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280854
methyl 4-[[5-(3-methylbutylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287835
5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286799
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide
CID 109287846
1-[3-[[6-(3-methylbutylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112864038
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide (CID 109287829) is 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide is CC(=O)c1cccc(Nc2cnc(C(=O)NCCC(C)C)cn2)c1.
What is the InChIKey of 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide?
The InChIKey is NNHWFGZFCWCZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)7-8-19-18(24)16-10-21-17(11-20-16)22-15-6-4-5-14(9-15)13(3)23/h4-6,9-12H,7-8H2,1-3H3,(H,19,24)(H,21,22).
What are the key properties of 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide?
5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).