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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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).