cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane

C35H57N7O6 — CID 143544057

IUPACcyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane
SMILESC1CCCCC1.CC(C)(C)C(NC(=O)CNC(=O)c1cnccn1)C(=O)N1C[C@@H]2CCN(C(O)CC(=O)NC3CC3)C(=O)C1C2.CCC
InChIInChI=1S/C26H37N7O6.C6H12.C3H8/c1-26(2,3)22(31-20(35)13-29-23(37)17-12-27-7-8-28-17)25(39)33-14-15-6-9-32(24(38)18(33)10-15)21(36)11-19(34)30-16-4-5-16;1-2-4-6-5-3-1;1-3-2/h7-8,12,15-16,18,21-22,36H,4-6,9-11,13-14H2,1-3H3,(H,29,37)(H,30,34)(H,31,35);1-6H2;3H2,1-2H3/t15-,18?,21?,22?;;/m1../s1
InChIKeyWIYQNPUQIPBZBL-CBTIEQOBSA-N
MW671.88 g/mol
LogP2.93
Rot. Bonds9

About cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane

cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane (PubChem CID 143544057) has the molecular formula C35H57N7O6 and a molecular weight of 671.88 g/mol. Its IUPAC name is cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane.

Molecular Properties

Compound Namecyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane
PubChem CID143544057
Molecular FormulaC35H57N7O6
Molecular Weight671.88 g/mol
Exact Mass671.44
IUPAC Namecyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane
SMILESC1CCCCC1.CC(C)(C)C(NC(=O)CNC(=O)c1cnccn1)C(=O)N1C[C@@H]2CCN(C(O)CC(=O)NC3CC3)C(=O)C1C2.CCC
InChIInChI=1S/C26H37N7O6.C6H12.C3H8/c1-26(2,3)22(31-20(35)13-29-23(37)17-12-27-7-8-28-17)25(39)33-14-15-6-9-32(24(38)18(33)10-15)21(36)11-19(34)30-16-4-5-16;1-2-4-6-5-3-1;1-3-2/h7-8,12,15-16,18,21-22,36H,4-6,9-11,13-14H2,1-3H3,(H,29,37)(H,30,34)(H,31,35);1-6H2;3H2,1-2H3/t15-,18?,21?,22?;;/m1../s1
InChIKeyWIYQNPUQIPBZBL-CBTIEQOBSA-N
XLogP2.93
TPSA173.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.88
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane?
The IUPAC name of cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane (CID 143544057) is cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane.
What is the SMILES notation for cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane?
The canonical SMILES for cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane is C1CCCCC1.CC(C)(C)C(NC(=O)CNC(=O)c1cnccn1)C(=O)N1C[C@@H]2CCN(C(O)CC(=O)NC3CC3)C(=O)C1C2.CCC.
What is the InChIKey of cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane?
The InChIKey is WIYQNPUQIPBZBL-CBTIEQOBSA-N. The full InChI is InChI=1S/C26H37N7O6.C6H12.C3H8/c1-26(2,3)22(31-20(35)13-29-23(37)17-12-27-7-8-28-17)25(39)33-14-15-6-9-32(24(38)18(33)10-15)21(36)11-19(34)30-16-4-5-16;1-2-4-6-5-3-1;1-3-2/h7-8,12,15-16,18,21-22,36H,4-6,9-11,13-14H2,1-3H3,(H,29,37)(H,30,34)(H,31,35);1-6H2;3H2,1-2H3/t15-,18?,21?,22?;;/m1../s1.
What are the key properties of cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane?
cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane has a molecular weight of 671.88 g/mol, XLogP of 2.93, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane is sourced from PubChem (CID 143544057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).