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

C17H16F3N3O2 — CID 155464245

IUPACN-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNc1cccc2c1CCCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)14-8-7-11(16(25)23-14)15(24)22-13-6-2-3-9-10(13)4-1-5-12(9)21/h1,4-5,7-8,13H,2-3,6,21H2,(H,22,24)(H,23,25)
InChIKeyVTWRWGBGEQWHCY-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.78
Rot. Bonds2

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

N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464245) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464245
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNc1cccc2c1CCCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)14-8-7-11(16(25)23-14)15(24)22-13-6-2-3-9-10(13)4-1-5-12(9)21/h1,4-5,7-8,13H,2-3,6,21H2,(H,22,24)(H,23,25)
InChIKeyVTWRWGBGEQWHCY-UHFFFAOYSA-N
XLogP2.78
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
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US10131663, Example 17
CID 134453502
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CID 645291
N-Cyclohexyl-N-(5,7-dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-propionamide
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CID 940228
N-(7-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-o-tolyl-ethyl)-acetamide
CID 1453407
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CID 7422674
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2-oxo-N-piperidin-4-yl-1-propan-2-ylquinoline-3-carboxamide
CID 44249311

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464245) is N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Nc1cccc2c1CCCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is VTWRWGBGEQWHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)14-8-7-11(16(25)23-14)15(24)22-13-6-2-3-9-10(13)4-1-5-12(9)21/h1,4-5,7-8,13H,2-3,6,21H2,(H,22,24)(H,23,25).
What are the key properties of N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).