N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H19F3N2O3 — CID 11718113

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCC=CO2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O3/c1-13-8-9-17(18(26)24-12-16-7-2-3-10-28-16)19(27)25(13)15-6-4-5-14(11-15)20(21,22)23/h3-6,8-11,16H,2,7,12H2,1H3,(H,24,26)
InChIKeyZHRRAQVOOWKKTO-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.59
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11718113) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11718113
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCC=CO2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O3/c1-13-8-9-17(18(26)24-12-16-7-2-3-10-28-16)19(27)25(13)15-6-4-5-14(11-15)20(21,22)23/h3-6,8-11,16H,2,7,12H2,1H3,(H,24,26)
InChIKeyZHRRAQVOOWKKTO-UHFFFAOYSA-N
XLogP3.59
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11718113) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCC=CO2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZHRRAQVOOWKKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-13-8-9-17(18(26)24-12-16-7-2-3-10-28-16)19(27)25(13)15-6-4-5-14(11-15)20(21,22)23/h3-6,8-11,16H,2,7,12H2,1H3,(H,24,26).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11718113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).