(1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide

C19H16F6N4O — CID 11464570

IUPAC(1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2C[C@@H]1CN2c1ncccc1C(F)(F)F
InChIInChI=1S/C19H16F6N4O/c20-18(21,22)11-3-5-12(6-4-11)27-17(30)29-10-13-8-14(29)9-28(13)16-15(19(23,24)25)2-1-7-26-16/h1-7,13-14H,8-10H2,(H,27,30)/t13-,14-/m1/s1
InChIKeyGGCUQWMATLQJPZ-ZIAGYGMSSA-N
MW430.35 g/mol
LogP4.61
Rot. Bonds2

About (1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide

(1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 11464570) has the molecular formula C19H16F6N4O and a molecular weight of 430.35 g/mol. Its IUPAC name is (1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID11464570
Molecular FormulaC19H16F6N4O
Molecular Weight430.35 g/mol
Exact Mass430.12
IUPAC Name(1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2C[C@@H]1CN2c1ncccc1C(F)(F)F
InChIInChI=1S/C19H16F6N4O/c20-18(21,22)11-3-5-12(6-4-11)27-17(30)29-10-13-8-14(29)9-28(13)16-15(19(23,24)25)2-1-7-26-16/h1-7,13-14H,8-10H2,(H,27,30)/t13-,14-/m1/s1
InChIKeyGGCUQWMATLQJPZ-ZIAGYGMSSA-N
XLogP4.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide (CID 11464570) is (1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2C[C@@H]1CN2c1ncccc1C(F)(F)F.
What is the InChIKey of (1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GGCUQWMATLQJPZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H16F6N4O/c20-18(21,22)11-3-5-12(6-4-11)27-17(30)29-10-13-8-14(29)9-28(13)16-15(19(23,24)25)2-1-7-26-16/h1-7,13-14H,8-10H2,(H,27,30)/t13-,14-/m1/s1.
What are the key properties of (1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
(1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 430.35 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-[4-(trifluoromethyl)phenyl]-5-[3-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 11464570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).