2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide

C19H20F2N2O — CID 162575887

IUPAC2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide
SMILESCCC1CC(C)c2c(NC(=O)c3cccnc3C(F)F)cccc21
InChIInChI=1S/C19H20F2N2O/c1-3-12-10-11(2)16-13(12)6-4-8-15(16)23-19(24)14-7-5-9-22-17(14)18(20)21/h4-9,11-12,18H,3,10H2,1-2H3,(H,23,24)
InChIKeyIKJAXTJZRIXODP-UHFFFAOYSA-N
MW330.38 g/mol
LogP5.27
Rot. Bonds4

About 2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide

2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide (PubChem CID 162575887) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide
PubChem CID162575887
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide
SMILESCCC1CC(C)c2c(NC(=O)c3cccnc3C(F)F)cccc21
InChIInChI=1S/C19H20F2N2O/c1-3-12-10-11(2)16-13(12)6-4-8-15(16)23-19(24)14-7-5-9-22-17(14)18(20)21/h4-9,11-12,18H,3,10H2,1-2H3,(H,23,24)
InChIKeyIKJAXTJZRIXODP-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide (CID 162575887) is 2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide is CCC1CC(C)c2c(NC(=O)c3cccnc3C(F)F)cccc21.
What is the InChIKey of 2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide?
The InChIKey is IKJAXTJZRIXODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-3-12-10-11(2)16-13(12)6-4-8-15(16)23-19(24)14-7-5-9-22-17(14)18(20)21/h4-9,11-12,18H,3,10H2,1-2H3,(H,23,24).
What are the key properties of 2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide?
2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 162575887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).