5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide

C23H21Cl2N3O2 — CID 11385186

IUPAC5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H21Cl2N3O2/c24-16-9-5-14(6-10-16)21-22(15-7-11-17(25)12-8-15)27-19(13-26-21)23(30)28-18-3-1-2-4-20(18)29/h5-13,18,20,29H,1-4H2,(H,28,30)/t18-,20-/m1/s1
InChIKeyYSGRWDRMHSNFDZ-UYAOXDASSA-N
MW442.35 g/mol
LogP5.15
Rot. Bonds4

About 5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide

5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide (PubChem CID 11385186) has the molecular formula C23H21Cl2N3O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
PubChem CID11385186
Molecular FormulaC23H21Cl2N3O2
Molecular Weight442.35 g/mol
Exact Mass441.10
IUPAC Name5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H21Cl2N3O2/c24-16-9-5-14(6-10-16)21-22(15-7-11-17(25)12-8-15)27-19(13-26-21)23(30)28-18-3-1-2-4-20(18)29/h5-13,18,20,29H,1-4H2,(H,28,30)/t18-,20-/m1/s1
InChIKeyYSGRWDRMHSNFDZ-UYAOXDASSA-N
XLogP5.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
CID 86616971
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104927278
N-cyclohexyl-5,6-diphenylpyrazine-2-carboxamide
CID 10150172
tert-butyl 5,6-bis(4-chlorophenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]pyrazine-2-carboxylate
CID 11444117
4-aminocyclohexan-1-ol;5,6-bis(4-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide;5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid;methane
CID 158794370
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide
CID 155953824
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide
CID 96528381
2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110021576
N-[(1R,2R)-2-hydroxycyclohexyl]-5-(pyrimidin-4-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 68837850
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide (CID 11385186) is 5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide?
The InChIKey is YSGRWDRMHSNFDZ-UYAOXDASSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2/c24-16-9-5-14(6-10-16)21-22(15-7-11-17(25)12-8-15)27-19(13-26-21)23(30)28-18-3-1-2-4-20(18)29/h5-13,18,20,29H,1-4H2,(H,28,30)/t18-,20-/m1/s1.
What are the key properties of 5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide?
5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide has a molecular weight of 442.35 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 11385186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).