N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

C25H37F3N4O4 — CID 171558407

IUPACN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CNC(=O)C3(C)CC4CCCC(C4)C3)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C20H33NO4.C5H4F3N3/c1-19(2)24-15-7-8-23-16(17(15)25-19)12-21-18(22)20(3)10-13-5-4-6-14(9-13)11-20;6-5(7,8)3-1-10-2-4(9)11-3/h13-17H,4-12H2,1-3H3,(H,21,22);1-2H,(H2,9,11)
InChIKeyWXEYSKMIBMOKRJ-UHFFFAOYSA-N
MW514.59 g/mol
LogP4.10
Rot. Bonds3

About N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171558407) has the molecular formula C25H37F3N4O4 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171558407
Molecular FormulaC25H37F3N4O4
Molecular Weight514.59 g/mol
Exact Mass514.28
IUPAC NameN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CNC(=O)C3(C)CC4CCCC(C4)C3)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C20H33NO4.C5H4F3N3/c1-19(2)24-15-7-8-23-16(17(15)25-19)12-21-18(22)20(3)10-13-5-4-6-14(9-13)11-20;6-5(7,8)3-1-10-2-4(9)11-3/h13-17H,4-12H2,1-3H3,(H,21,22);1-2H,(H2,9,11)
InChIKeyWXEYSKMIBMOKRJ-UHFFFAOYSA-N
XLogP4.10
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171558407) is N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is CC1(C)OC2CCOC(CNC(=O)C3(C)CC4CCCC(C4)C3)C2O1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is WXEYSKMIBMOKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4.C5H4F3N3/c1-19(2)24-15-7-8-23-16(17(15)25-19)12-21-18(22)20(3)10-13-5-4-6-14(9-13)11-20;6-5(7,8)3-1-10-2-4(9)11-3/h13-17H,4-12H2,1-3H3,(H,21,22);1-2H,(H2,9,11).
What are the key properties of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 514.59 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-3-methylbicyclo[3.3.1]nonane-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171558407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).