N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C18H17F3N2O3 — CID 155464348

IUPACN-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCc2c(CO)cccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)15-8-7-13(17(26)23-15)16(25)22-14-6-2-4-11-10(9-24)3-1-5-12(11)14/h1,3,5,7-8,14,24H,2,4,6,9H2,(H,22,25)(H,23,26)
InChIKeyXYUOBQDCCZTYAF-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.69
Rot. Bonds3

About N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464348) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464348
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCc2c(CO)cccc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)15-8-7-13(17(26)23-15)16(25)22-14-6-2-4-11-10(9-24)3-1-5-12(11)14/h1,3,5,7-8,14,24H,2,4,6,9H2,(H,22,25)(H,23,26)
InChIKeyXYUOBQDCCZTYAF-UHFFFAOYSA-N
XLogP2.69
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464348) is N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1CCCc2c(CO)cccc21)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is XYUOBQDCCZTYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)15-8-7-13(17(26)23-15)16(25)22-14-6-2-4-11-10(9-24)3-1-5-12(11)14/h1,3,5,7-8,14,24H,2,4,6,9H2,(H,22,25)(H,23,26).
What are the key properties of N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).