5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide

C19H22N4O2 — CID 109274767

IUPAC5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)NC3CCCCC3)cn2)c1
InChIInChI=1S/C19H22N4O2/c1-13(24)14-6-5-9-16(10-14)22-18-12-20-17(11-21-18)19(25)23-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,21,22)(H,23,25)
InChIKeyXLUHUJWLKCAHRK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.49
Rot. Bonds5

About 5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide

5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide (PubChem CID 109274767) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
PubChem CID109274767
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)NC3CCCCC3)cn2)c1
InChIInChI=1S/C19H22N4O2/c1-13(24)14-6-5-9-16(10-14)22-18-12-20-17(11-21-18)19(25)23-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,21,22)(H,23,25)
InChIKeyXLUHUJWLKCAHRK-UHFFFAOYSA-N
XLogP3.49
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-acetylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183026
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
CID 109274039
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332978
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287829
methyl 3-[[5-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109285220
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109274776
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271678

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide (CID 109274767) is 5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide is CC(=O)c1cccc(Nc2cnc(C(=O)NC3CCCCC3)cn2)c1.
What is the InChIKey of 5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide?
The InChIKey is XLUHUJWLKCAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(24)14-6-5-9-16(10-14)22-18-12-20-17(11-21-18)19(25)23-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,21,22)(H,23,25).
What are the key properties of 5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide?
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide is sourced from PubChem (CID 109274767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).