N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H19F3N2O3 — CID 155464640

IUPACN-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOC1CCc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H19F3N2O3/c1-10-3-5-12-11(9-10)4-7-14(27-2)16(12)24-18(26)13-6-8-15(19(20,21)22)23-17(13)25/h3,5-6,8-9,14,16H,4,7H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDNMHVWLVVKWZHF-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.13
Rot. Bonds3

About N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464640) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464640
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOC1CCc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H19F3N2O3/c1-10-3-5-12-11(9-10)4-7-14(27-2)16(12)24-18(26)13-6-8-15(19(20,21)22)23-17(13)25/h3,5-6,8-9,14,16H,4,7H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyDNMHVWLVVKWZHF-UHFFFAOYSA-N
XLogP3.13
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464640) is N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COC1CCc2cc(C)ccc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DNMHVWLVVKWZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-10-3-5-12-11(9-10)4-7-14(27-2)16(12)24-18(26)13-6-8-15(19(20,21)22)23-17(13)25/h3,5-6,8-9,14,16H,4,7H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).