N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide

C19H15F6N3O2 — CID 87342000

IUPACN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2cc(C(F)(F)F)ccc12)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H15F6N3O2/c1-10(15-5-3-12(7-26-15)30-9-18(20,21)22)28-17(29)14-8-27-16-6-11(19(23,24)25)2-4-13(14)16/h2-8,10,27H,9H2,1H3,(H,28,29)/t10-/m1/s1
InChIKeyJNQBLBMKKWKGEC-SNVBAGLBSA-N
MW431.34 g/mol
LogP5.01
Rot. Bonds5

About N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide

N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide (PubChem CID 87342000) has the molecular formula C19H15F6N3O2 and a molecular weight of 431.34 g/mol. Its IUPAC name is N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide
PubChem CID87342000
Molecular FormulaC19H15F6N3O2
Molecular Weight431.34 g/mol
Exact Mass431.11
IUPAC NameN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2cc(C(F)(F)F)ccc12)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H15F6N3O2/c1-10(15-5-3-12(7-26-15)30-9-18(20,21)22)28-17(29)14-8-27-16-6-11(19(23,24)25)2-4-13(14)16/h2-8,10,27H,9H2,1H3,(H,28,29)/t10-/m1/s1
InChIKeyJNQBLBMKKWKGEC-SNVBAGLBSA-N
XLogP5.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide?
The IUPAC name of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide (CID 87342000) is N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide is C[C@@H](NC(=O)c1c[nH]c2cc(C(F)(F)F)ccc12)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide?
The InChIKey is JNQBLBMKKWKGEC-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H15F6N3O2/c1-10(15-5-3-12(7-26-15)30-9-18(20,21)22)28-17(29)14-8-27-16-6-11(19(23,24)25)2-4-13(14)16/h2-8,10,27H,9H2,1H3,(H,28,29)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide?
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide has a molecular weight of 431.34 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 87342000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).