N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide

C20H20F3N3O — CID 58542463

IUPACN-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCC(C)[C@@H]1C2CCC1c1c(NC(=O)c3nccnc3C(F)(F)F)cccc12
InChIInChI=1S/C20H20F3N3O/c1-10(2)15-12-6-7-13(15)16-11(12)4-3-5-14(16)26-19(27)17-18(20(21,22)23)25-9-8-24-17/h3-5,8-10,12-13,15H,6-7H2,1-2H3,(H,26,27)/t12?,13?,15-/m1/s1
InChIKeyDGKHRKVBFAGJRA-SSDMNJCBSA-N
MW375.39 g/mol
LogP4.99
Rot. Bonds3

About N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide

N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 58542463) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID58542463
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC NameN-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCC(C)[C@@H]1C2CCC1c1c(NC(=O)c3nccnc3C(F)(F)F)cccc12
InChIInChI=1S/C20H20F3N3O/c1-10(2)15-12-6-7-13(15)16-11(12)4-3-5-14(16)26-19(27)17-18(20(21,22)23)25-9-8-24-17/h3-5,8-10,12-13,15H,6-7H2,1-2H3,(H,26,27)/t12?,13?,15-/m1/s1
InChIKeyDGKHRKVBFAGJRA-SSDMNJCBSA-N
XLogP4.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide (CID 58542463) is N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide is CC(C)[C@@H]1C2CCC1c1c(NC(=O)c3nccnc3C(F)(F)F)cccc12.
What is the InChIKey of N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is DGKHRKVBFAGJRA-SSDMNJCBSA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-10(2)15-12-6-7-13(15)16-11(12)4-3-5-14(16)26-19(27)17-18(20(21,22)23)25-9-8-24-17/h3-5,8-10,12-13,15H,6-7H2,1-2H3,(H,26,27)/t12?,13?,15-/m1/s1.
What are the key properties of N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide?
N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(11R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 58542463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).