5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C22H19F3N4O2 — CID 10670191

IUPAC5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2
InChIInChI=1S/C22H19F3N4O2/c1-13-3-5-26-12-17(13)15-7-16(11-27-10-15)28-21(30)29-6-4-14-8-20(31-2)18(9-19(14)29)22(23,24)25/h3,5,7-12H,4,6H2,1-2H3,(H,28,30)
InChIKeyCNYCTYLQOYVVNS-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.07
Rot. Bonds3

About 5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10670191) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10670191
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2
InChIInChI=1S/C22H19F3N4O2/c1-13-3-5-26-12-17(13)15-7-16(11-27-10-15)28-21(30)29-6-4-14-8-20(31-2)18(9-19(14)29)22(23,24)25/h3,5,7-12H,4,6H2,1-2H3,(H,28,30)
InChIKeyCNYCTYLQOYVVNS-UHFFFAOYSA-N
XLogP5.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10670191) is 5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2.
What is the InChIKey of 5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is CNYCTYLQOYVVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-13-3-5-26-12-17(13)15-7-16(11-27-10-15)28-21(30)29-6-4-14-8-20(31-2)18(9-19(14)29)22(23,24)25/h3,5,7-12H,4,6H2,1-2H3,(H,28,30).
What are the key properties of 5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[5-(4-methyl-3-pyridinyl)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10670191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).