5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one

C21H20F2N2O2 — CID 170409048

IUPAC5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one
SMILESCC(=O)c1nccc2[nH]c(-c3cc(F)c(C(C)(C)C)c(F)c3C)cc(=O)c12
InChIInChI=1S/C21H20F2N2O2/c1-10-12(8-13(22)18(19(10)23)21(3,4)5)15-9-16(27)17-14(25-15)6-7-24-20(17)11(2)26/h6-9H,1-5H3,(H,25,27)
InChIKeyKILDCDXKQYFYAD-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.68
Rot. Bonds2

About 5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one

5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one (PubChem CID 170409048) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one
PubChem CID170409048
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one
SMILESCC(=O)c1nccc2[nH]c(-c3cc(F)c(C(C)(C)C)c(F)c3C)cc(=O)c12
InChIInChI=1S/C21H20F2N2O2/c1-10-12(8-13(22)18(19(10)23)21(3,4)5)15-9-16(27)17-14(25-15)6-7-24-20(17)11(2)26/h6-9H,1-5H3,(H,25,27)
InChIKeyKILDCDXKQYFYAD-UHFFFAOYSA-N
XLogP4.68
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256654
2-[2,5-dimethyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256572
2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256461
2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256802
2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxylic acid
CID 169249336
2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256277
2-(4-tert-butyl-5-chloro-2-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide;propan-1-ol
CID 176997515
2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256303
2-[5-chloro-3-deuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylphenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256205
2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249446
2-[5-chloro-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249231
2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249148

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one?
The IUPAC name of 5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one (CID 170409048) is 5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one?
The canonical SMILES for 5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one is CC(=O)c1nccc2[nH]c(-c3cc(F)c(C(C)(C)C)c(F)c3C)cc(=O)c12.
What is the InChIKey of 5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one?
The InChIKey is KILDCDXKQYFYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c1-10-12(8-13(22)18(19(10)23)21(3,4)5)15-9-16(27)17-14(25-15)6-7-24-20(17)11(2)26/h6-9H,1-5H3,(H,25,27).
What are the key properties of 5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one?
5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one has a molecular weight of 370.40 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(4-tert-butyl-3,5-difluoro-2-methylphenyl)-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 170409048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).