N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C21H17F3N4O2 — CID 10835585

IUPACN-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)15-4-6-18-14(11-15)8-10-28(18)20(29)27-16-5-7-19(26-12-16)30-13-17-3-1-2-9-25-17/h1-7,9,11-12H,8,10,13H2,(H,27,29)
InChIKeyDMTYWFWKUOCEKE-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.67
Rot. Bonds4

About N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10835585) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10835585
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC NameN-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)15-4-6-18-14(11-15)8-10-28(18)20(29)27-16-5-7-19(26-12-16)30-13-17-3-1-2-9-25-17/h1-7,9,11-12H,8,10,13H2,(H,27,29)
InChIKeyDMTYWFWKUOCEKE-UHFFFAOYSA-N
XLogP4.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10835585) is N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is DMTYWFWKUOCEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c22-21(23,24)15-4-6-18-14(11-15)8-10-28(18)20(29)27-16-5-7-19(26-12-16)30-13-17-3-1-2-9-25-17/h1-7,9,11-12H,8,10,13H2,(H,27,29).
What are the key properties of N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10835585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).