N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide

C21H24F2N2O — CID 121424121

IUPACN-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide
SMILESCCC1CC(C)(CC)c2cccc(NC(=O)c3cccnc3C(F)F)c21
InChIInChI=1S/C21H24F2N2O/c1-4-13-12-21(3,5-2)15-9-6-10-16(17(13)15)25-20(26)14-8-7-11-24-18(14)19(22)23/h6-11,13,19H,4-5,12H2,1-3H3,(H,25,26)
InChIKeyMPYQYKKJUWVQMV-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.84
Rot. Bonds5

About N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide

N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 121424121) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide
PubChem CID121424121
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC NameN-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide
SMILESCCC1CC(C)(CC)c2cccc(NC(=O)c3cccnc3C(F)F)c21
InChIInChI=1S/C21H24F2N2O/c1-4-13-12-21(3,5-2)15-9-6-10-16(17(13)15)25-20(26)14-8-7-11-24-18(14)19(22)23/h6-11,13,19H,4-5,12H2,1-3H3,(H,25,26)
InChIKeyMPYQYKKJUWVQMV-UHFFFAOYSA-N
XLogP5.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide (CID 121424121) is N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide is CCC1CC(C)(CC)c2cccc(NC(=O)c3cccnc3C(F)F)c21.
What is the InChIKey of N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide?
The InChIKey is MPYQYKKJUWVQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-4-13-12-21(3,5-2)15-9-6-10-16(17(13)15)25-20(26)14-8-7-11-24-18(14)19(22)23/h6-11,13,19H,4-5,12H2,1-3H3,(H,25,26).
What are the key properties of N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide?
N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 121424121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).