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

C21H17F3N4O2 — CID 10476876

IUPACN-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1
InChIInChI=1S/C21H17F3N4O2/c1-13-18(3-2-9-25-13)30-19-7-5-16(12-26-19)27-20(29)28-10-8-14-11-15(21(22,23)24)4-6-17(14)28/h2-7,9,11-12H,8,10H2,1H3,(H,27,29)
InChIKeyNOTIPWOOWOXBDE-UHFFFAOYSA-N
MW414.39 g/mol
LogP5.19
Rot. Bonds3

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

N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10476876) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10476876
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC NameN-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1
InChIInChI=1S/C21H17F3N4O2/c1-13-18(3-2-9-25-13)30-19-7-5-16(12-26-19)27-20(29)28-10-8-14-11-15(21(22,23)24)4-6-17(14)28/h2-7,9,11-12H,8,10H2,1H3,(H,27,29)
InChIKeyNOTIPWOOWOXBDE-UHFFFAOYSA-N
XLogP5.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10476876) is N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1.
What is the InChIKey of N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is NOTIPWOOWOXBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c1-13-18(3-2-9-25-13)30-19-7-5-16(12-26-19)27-20(29)28-10-8-14-11-15(21(22,23)24)4-6-17(14)28/h2-7,9,11-12H,8,10H2,1H3,(H,27,29).
What are the key properties of N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10476876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).