2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C20H18F3N3O2 — CID 169256303

IUPAC2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1cc(C(C)C)c(C(F)(F)F)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C20H18F3N3O2/c1-9(2)11-6-10(3)12(7-13(11)20(21,22)23)15-8-16(27)17-14(26-15)4-5-25-18(17)19(24)28/h4-9H,1-3H3,(H2,24,28)(H,26,27)
InChIKeyBMHGEMCMZSIKKW-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.14
Rot. Bonds3

About 2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169256303) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169256303
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1cc(C(C)C)c(C(F)(F)F)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C20H18F3N3O2/c1-9(2)11-6-10(3)12(7-13(11)20(21,22)23)15-8-16(27)17-14(26-15)4-5-25-18(17)19(24)28/h4-9H,1-3H3,(H2,24,28)(H,26,27)
InChIKeyBMHGEMCMZSIKKW-UHFFFAOYSA-N
XLogP4.14
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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-[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-chloro-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249231
2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256654
2-[5-chloro-4-(3,3-difluorocyclopentyl)-2-methylphenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;ethane
CID 169256508
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-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249780
2-[3-tert-butyl-1-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249040
2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249446

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169256303) is 2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is Cc1cc(C(C)C)c(C(F)(F)F)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1.
What is the InChIKey of 2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is BMHGEMCMZSIKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-9(2)11-6-10(3)12(7-13(11)20(21,22)23)15-8-16(27)17-14(26-15)4-5-25-18(17)19(24)28/h4-9H,1-3H3,(H2,24,28)(H,26,27).
What are the key properties of 2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169256303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).