N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide

C20H18F3N3O2 — CID 166179220

IUPACN-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide
SMILESCCC(NC(=O)c1cnc2cnccc2c1)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H18F3N3O2/c1-2-16(18(27)12-3-5-15(6-4-12)20(21,22)23)26-19(28)14-9-13-7-8-24-11-17(13)25-10-14/h3-11,16,18,27H,2H2,1H3,(H,26,28)
InChIKeyVZIZXLAVTBLPPM-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.89
Rot. Bonds5

About N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide

N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide (PubChem CID 166179220) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide
PubChem CID166179220
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide
SMILESCCC(NC(=O)c1cnc2cnccc2c1)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H18F3N3O2/c1-2-16(18(27)12-3-5-15(6-4-12)20(21,22)23)26-19(28)14-9-13-7-8-24-11-17(13)25-10-14/h3-11,16,18,27H,2H2,1H3,(H,26,28)
InChIKeyVZIZXLAVTBLPPM-UHFFFAOYSA-N
XLogP3.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide
CID 97237273
1,7-naphthyridine-3-carbohydrazide
CID 69234324
N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 75447518
N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1H-pyrrole-2-carboxamide
CID 97237297
N-(2-amino-1-naphthalen-2-ylpropyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166334049
1-[(1S,2R)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-methoxyethyl)urea
CID 96530958
N-butan-2-ylsulfanyl-7-(trifluoromethyl)quinoline-3-carboxamide
CID 87480063
2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 133302722
4-(4-fluorobenzoyl)-N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 22262341
N-propan-2-yl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10277298
N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542
4-chloro-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 56679470

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide (CID 166179220) is N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide is CCC(NC(=O)c1cnc2cnccc2c1)C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide?
The InChIKey is VZIZXLAVTBLPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-2-16(18(27)12-3-5-15(6-4-12)20(21,22)23)26-19(28)14-9-13-7-8-24-11-17(13)25-10-14/h3-11,16,18,27H,2H2,1H3,(H,26,28).
What are the key properties of N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide?
N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 166179220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).