N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C15H12F3N3O — CID 10709843

IUPACN-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)11-3-4-13-10(8-11)5-7-21(13)14(22)20-12-2-1-6-19-9-12/h1-4,6,8-9H,5,7H2,(H,20,22)
InChIKeyJDEDDUYWHVGXBK-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.69
Rot. Bonds1

About N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10709843) has the molecular formula C15H12F3N3O and a molecular weight of 307.27 g/mol. Its IUPAC name is N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10709843
Molecular FormulaC15H12F3N3O
Molecular Weight307.27 g/mol
Exact Mass307.09
IUPAC NameN-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)11-3-4-13-10(8-11)5-7-21(13)14(22)20-12-2-1-6-19-9-12/h1-4,6,8-9H,5,7H2,(H,20,22)
InChIKeyJDEDDUYWHVGXBK-UHFFFAOYSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10709843) is N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccnc1)N1CCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is JDEDDUYWHVGXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)11-3-4-13-10(8-11)5-7-21(13)14(22)20-12-2-1-6-19-9-12/h1-4,6,8-9H,5,7H2,(H,20,22).
What are the key properties of N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 307.27 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10709843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).