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

C18H16ClF3N2O2 — CID 171904073

IUPACN-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCC1CCc2cc(Cl)ccc2C1NC(=O)C1C=CC(C(F)(F)F)=NC1=O
InChIInChI=1S/C18H16ClF3N2O2/c1-9-2-3-10-8-11(19)4-5-12(10)15(9)24-17(26)13-6-7-14(18(20,21)22)23-16(13)25/h4-9,13,15H,2-3H2,1H3,(H,24,26)
InChIKeyMJXJRMSGVYKYFH-UHFFFAOYSA-N
MW384.79 g/mol
LogP3.80
Rot. Bonds2

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

N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (PubChem CID 171904073) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
PubChem CID171904073
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC NameN-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCC1CCc2cc(Cl)ccc2C1NC(=O)C1C=CC(C(F)(F)F)=NC1=O
InChIInChI=1S/C18H16ClF3N2O2/c1-9-2-3-10-8-11(19)4-5-12(10)15(9)24-17(26)13-6-7-14(18(20,21)22)23-16(13)25/h4-9,13,15H,2-3H2,1H3,(H,24,26)
InChIKeyMJXJRMSGVYKYFH-UHFFFAOYSA-N
XLogP3.80
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (CID 171904073) is N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is CC1CCc2cc(Cl)ccc2C1NC(=O)C1C=CC(C(F)(F)F)=NC1=O.
What is the InChIKey of N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The InChIKey is MJXJRMSGVYKYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-9-2-3-10-8-11(19)4-5-12(10)15(9)24-17(26)13-6-7-14(18(20,21)22)23-16(13)25/h4-9,13,15H,2-3H2,1H3,(H,24,26).
What are the key properties of N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is sourced from PubChem (CID 171904073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).