4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide

C26H24F4N2O5 — CID 169429055

IUPAC4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C2CC2)c(C(F)(F)F)cc1C(=O)Nc1ccnc(OC[C@H](O)CO)c1
InChIInChI=1S/C26H24F4N2O5/c1-14-8-16(27)4-5-22(14)37-23-11-19(15-2-3-15)21(26(28,29)30)10-20(23)25(35)32-17-6-7-31-24(9-17)36-13-18(34)12-33/h4-11,15,18,33-34H,2-3,12-13H2,1H3,(H,31,32,35)/t18-/m1/s1
InChIKeyPSIAQKWJBKEISG-GOSISDBHSA-N
MW520.48 g/mol
LogP5.20
Rot. Bonds9

About 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide

4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide (PubChem CID 169429055) has the molecular formula C26H24F4N2O5 and a molecular weight of 520.48 g/mol. Its IUPAC name is 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
PubChem CID169429055
Molecular FormulaC26H24F4N2O5
Molecular Weight520.48 g/mol
Exact Mass520.16
IUPAC Name4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C2CC2)c(C(F)(F)F)cc1C(=O)Nc1ccnc(OC[C@H](O)CO)c1
InChIInChI=1S/C26H24F4N2O5/c1-14-8-16(27)4-5-22(14)37-23-11-19(15-2-3-15)21(26(28,29)30)10-20(23)25(35)32-17-6-7-31-24(9-17)36-13-18(34)12-33/h4-11,15,18,33-34H,2-3,12-13H2,1H3,(H,31,32,35)/t18-/m1/s1
InChIKeyPSIAQKWJBKEISG-GOSISDBHSA-N
XLogP5.20
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.48
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-[4-[2-[[(2R)-2-(4-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
CID 44591506
3-methoxy-N-pyridin-4-ylnaphthalene-2-carboxamide
CID 18109225
2-(4-fluoro-2-methylphenoxy)-N-(2-methoxypyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 155170303
2-(4-fluoro-2-methylphenoxy)-N-pyridin-4-yl-4-(trifluoromethyl)benzamide
CID 172444353
Methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-3-methylpyridine-2-carboxylate
CID 154643733
Methyl 4-[[6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxylate
CID 154643766
4-[[6-(2-Cyclopropyl-3,6-difluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154644847
4-[[2-Fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154644913
4-[[6-[2-Cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645079
4-[[6-(2,3-Difluoro-4-Isopropoxy-Phenoxy)-2-Fluoro-3-(Trifluoromethyl)Benzoyl]Amino]Pyridine-2-Carboxamide
CID 154645104
4-[[2-(2,3-Difluoro-4-Isopropoxy-Phenoxy)-6-(Trifluoromethyl)Benzoyl]Amino]Pyridine-2-Carboxamide
CID 154645111
4-[[6-[4-(Difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645128

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
The IUPAC name of 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide (CID 169429055) is 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide is Cc1cc(F)ccc1Oc1cc(C2CC2)c(C(F)(F)F)cc1C(=O)Nc1ccnc(OC[C@H](O)CO)c1.
What is the InChIKey of 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
The InChIKey is PSIAQKWJBKEISG-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24F4N2O5/c1-14-8-16(27)4-5-22(14)37-23-11-19(15-2-3-15)21(26(28,29)30)10-20(23)25(35)32-17-6-7-31-24(9-17)36-13-18(34)12-33/h4-11,15,18,33-34H,2-3,12-13H2,1H3,(H,31,32,35)/t18-/m1/s1.
What are the key properties of 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide?
4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide has a molecular weight of 520.48 g/mol, XLogP of 5.20, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[2-[(2R)-2,3-dihydroxypropoxy]-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 169429055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).