4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide

C26H17F6N3O3 — CID 59813634

IUPAC4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cccc3c2)ccn1
InChIInChI=1S/C26H17F6N3O3/c1-33-24(37)22-13-19(7-8-34-22)38-18-5-6-20-14(11-18)3-2-4-21(20)35-23(36)15-9-16(25(27,28)29)12-17(10-15)26(30,31)32/h2-13H,1H3,(H,33,37)(H,35,36)
InChIKeyGNITVRGCTCMABQ-UHFFFAOYSA-N
MW533.43 g/mol
LogP6.68
Rot. Bonds5

About 4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide

4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 59813634) has the molecular formula C26H17F6N3O3 and a molecular weight of 533.43 g/mol. Its IUPAC name is 4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID59813634
Molecular FormulaC26H17F6N3O3
Molecular Weight533.43 g/mol
Exact Mass533.12
IUPAC Name4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cccc3c2)ccn1
InChIInChI=1S/C26H17F6N3O3/c1-33-24(37)22-13-19(7-8-34-22)38-18-5-6-20-14(11-18)3-2-4-21(20)35-23(36)15-9-16(25(27,28)29)12-17(10-15)26(30,31)32/h2-13H,1H3,(H,33,37)(H,35,36)
InChIKeyGNITVRGCTCMABQ-UHFFFAOYSA-N
XLogP6.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.43
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 59813172
4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 143083791
N-methyl-4-[[3-[[3-(trifluoromethyl)benzoyl]amino]-1,2,4-benzotriazin-7-yl]oxy]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 86604284
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
4-methylbenzenesulfonic acid;N-methyl-4-[4-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]pyridine-2-carboxamide
CID 71609370
N-methyl-4-[4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenoxy]pyridine-2-carboxamide
CID 130248768
4-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743676
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 58968812
N-[6-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]naphthalen-1-yl]-2-phenylacetamide
CID 143083701
4-[7-[[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 23585427
N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide
CID 59813393

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide (CID 59813634) is 4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cccc3c2)ccn1.
What is the InChIKey of 4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is GNITVRGCTCMABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F6N3O3/c1-33-24(37)22-13-19(7-8-34-22)38-18-5-6-20-14(11-18)3-2-4-21(20)35-23(36)15-9-16(25(27,28)29)12-17(10-15)26(30,31)32/h2-13H,1H3,(H,33,37)(H,35,36).
What are the key properties of 4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 533.43 g/mol, XLogP of 6.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 59813634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).