[5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C19H19F3N2O3 — CID 175379000

IUPAC[5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCOc1ncc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c1-18(2)8-11-6-10(4-5-13(11)15(18)27-17(23)25)12-7-14(19(20,21)22)16(26-3)24-9-12/h4-7,9,15H,8H2,1-3H3,(H2,23,25)
InChIKeyYYULBRMUASWNQU-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.49
Rot. Bonds3

About [5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175379000) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is [5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175379000
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name[5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCOc1ncc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c1-18(2)8-11-6-10(4-5-13(11)15(18)27-17(23)25)12-7-14(19(20,21)22)16(26-3)24-9-12/h4-7,9,15H,8H2,1-3H3,(H2,23,25)
InChIKeyYYULBRMUASWNQU-UHFFFAOYSA-N
XLogP4.49
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175379000) is [5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is COc1ncc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1C(F)(F)F.
What is the InChIKey of [5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is YYULBRMUASWNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-18(2)8-11-6-10(4-5-13(11)15(18)27-17(23)25)12-7-14(19(20,21)22)16(26-3)24-9-12/h4-7,9,15H,8H2,1-3H3,(H2,23,25).
What are the key properties of [5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 380.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175379000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).