6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide

C25H19F3N2O5 — CID 143966336

IUPAC6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12)c1cccc(OCCCO)n1
InChIInChI=1S/C25H19F3N2O5/c26-25(27,28)16-6-1-5-15(13-16)21-14-20(32)17-7-2-8-18(23(17)35-21)30-24(33)19-9-3-10-22(29-19)34-12-4-11-31/h1-3,5-10,13-14,31H,4,11-12H2,(H,30,33)
InChIKeyZEAGBBJMFLYKOF-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.89
Rot. Bonds7

About 6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide

6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide (PubChem CID 143966336) has the molecular formula C25H19F3N2O5 and a molecular weight of 484.43 g/mol. Its IUPAC name is 6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide
PubChem CID143966336
Molecular FormulaC25H19F3N2O5
Molecular Weight484.43 g/mol
Exact Mass484.12
IUPAC Name6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12)c1cccc(OCCCO)n1
InChIInChI=1S/C25H19F3N2O5/c26-25(27,28)16-6-1-5-15(13-16)21-14-20(32)17-7-2-8-18(23(17)35-21)30-24(33)19-9-3-10-22(29-19)34-12-4-11-31/h1-3,5-10,13-14,31H,4,11-12H2,(H,30,33)
InChIKeyZEAGBBJMFLYKOF-UHFFFAOYSA-N
XLogP4.89
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-4-carboxamide
CID 76798298
2-(2,3-dihydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-3-carboxamide
CID 76798297
N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide
CID 45255149
4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide
CID 58477365
4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide
CID 45255145
3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol
CID 122686391
N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119011
N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide
CID 45256868
6-methoxy-N-naphthalen-1-ylpyridine-2-carboxamide
CID 84580589
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 17014479
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 18326225

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide (CID 143966336) is 6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide is O=C(Nc1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12)c1cccc(OCCCO)n1.
What is the InChIKey of 6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide?
The InChIKey is ZEAGBBJMFLYKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O5/c26-25(27,28)16-6-1-5-15(13-16)21-14-20(32)17-7-2-8-18(23(17)35-21)30-24(33)19-9-3-10-22(29-19)34-12-4-11-31/h1-3,5-10,13-14,31H,4,11-12H2,(H,30,33).
What are the key properties of 6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide?
6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide has a molecular weight of 484.43 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropoxy)-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]chromen-8-yl]pyridine-2-carboxamide is sourced from PubChem (CID 143966336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).