3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide

C27H30ClN3O2 — CID 101258247

IUPAC3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide
SMILESCC(C)Cn1c(C(=O)NC2CCCCC2)c(-c2ccc(Cl)cc2)nc(-c2ccccc2)c1=O
InChIInChI=1S/C27H30ClN3O2/c1-18(2)17-31-25(26(32)29-22-11-7-4-8-12-22)23(20-13-15-21(28)16-14-20)30-24(27(31)33)19-9-5-3-6-10-19/h3,5-6,9-10,13-16,18,22H,4,7-8,11-12,17H2,1-2H3,(H,29,32)
InChIKeyFCZGGAIRPYWIBX-UHFFFAOYSA-N
MW464.01 g/mol
LogP5.95
Rot. Bonds6

About 3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide

3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide (PubChem CID 101258247) has the molecular formula C27H30ClN3O2 and a molecular weight of 464.01 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide
PubChem CID101258247
Molecular FormulaC27H30ClN3O2
Molecular Weight464.01 g/mol
Exact Mass463.20
IUPAC Name3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide
SMILESCC(C)Cn1c(C(=O)NC2CCCCC2)c(-c2ccc(Cl)cc2)nc(-c2ccccc2)c1=O
InChIInChI=1S/C27H30ClN3O2/c1-18(2)17-31-25(26(32)29-22-11-7-4-8-12-22)23(20-13-15-21(28)16-14-20)30-24(27(31)33)19-9-5-3-6-10-19/h3,5-6,9-10,13-16,18,22H,4,7-8,11-12,17H2,1-2H3,(H,29,32)
InChIKeyFCZGGAIRPYWIBX-UHFFFAOYSA-N
XLogP5.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.01
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752
4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide
CID 10202808
N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3620871
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylacetamide
CID 7691725
N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 11291808
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclohexylcarbamoyl)acetamide
CID 16510001
3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 163091019
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
3-(4-chlorophenyl)-N-cyclopentyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162800200
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide
CID 10950969

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide (CID 101258247) is 3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide is CC(C)Cn1c(C(=O)NC2CCCCC2)c(-c2ccc(Cl)cc2)nc(-c2ccccc2)c1=O.
What is the InChIKey of 3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide?
The InChIKey is FCZGGAIRPYWIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O2/c1-18(2)17-31-25(26(32)29-22-11-7-4-8-12-22)23(20-13-15-21(28)16-14-20)30-24(27(31)33)19-9-5-3-6-10-19/h3,5-6,9-10,13-16,18,22H,4,7-8,11-12,17H2,1-2H3,(H,29,32).
What are the key properties of 3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide?
3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide has a molecular weight of 464.01 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 101258247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).