6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

C23H18F5N3O2 — CID 155341439

IUPAC6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)cc(F)c2)nc1C(=O)NC1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H18F5N3O2/c1-33-19-6-7-20(29-16-10-14(24)9-15(25)11-16)31-21(19)22(32)30-18-5-2-12-8-13(23(26,27)28)3-4-17(12)18/h3-4,6-11,18H,2,5H2,1H3,(H,29,31)(H,30,32)
InChIKeyUSWYVOTZZPYGME-UHFFFAOYSA-N
MW463.41 g/mol
LogP5.55
Rot. Bonds5

About 6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (PubChem CID 155341439) has the molecular formula C23H18F5N3O2 and a molecular weight of 463.41 g/mol. Its IUPAC name is 6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
PubChem CID155341439
Molecular FormulaC23H18F5N3O2
Molecular Weight463.41 g/mol
Exact Mass463.13
IUPAC Name6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)cc(F)c2)nc1C(=O)NC1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H18F5N3O2/c1-33-19-6-7-20(29-16-10-14(24)9-15(25)11-16)31-21(19)22(32)30-18-5-2-12-8-13(23(26,27)28)3-4-17(12)18/h3-4,6-11,18H,2,5H2,1H3,(H,29,31)(H,30,32)
InChIKeyUSWYVOTZZPYGME-UHFFFAOYSA-N
XLogP5.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (CID 155341439) is 6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is COc1ccc(Nc2cc(F)cc(F)c2)nc1C(=O)NC1CCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The InChIKey is USWYVOTZZPYGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N3O2/c1-33-19-6-7-20(29-16-10-14(24)9-15(25)11-16)31-21(19)22(32)30-18-5-2-12-8-13(23(26,27)28)3-4-17(12)18/h3-4,6-11,18H,2,5H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide has a molecular weight of 463.41 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155341439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).