N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C17H12F3N3O2 — CID 155464395

IUPACN-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNc1cccc2c(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)cccc12
InChIInChI=1S/C17H12F3N3O2/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/h1-8H,21H2,(H,22,24)(H,23,25)
InChIKeyAOVNGKFUEZUYFX-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.38
Rot. Bonds2

About N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464395) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464395
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNc1cccc2c(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)cccc12
InChIInChI=1S/C17H12F3N3O2/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/h1-8H,21H2,(H,22,24)(H,23,25)
InChIKeyAOVNGKFUEZUYFX-UHFFFAOYSA-N
XLogP3.38
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464395) is N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Nc1cccc2c(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)cccc12.
What is the InChIKey of N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is AOVNGKFUEZUYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/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/h1-8H,21H2,(H,22,24)(H,23,25).
What are the key properties of N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminonaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).