N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C24H22F3N3O5 — CID 134609388

IUPACN-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(C2(O)COC2)c1
InChIInChI=1S/C24H22F3N3O5/c1-14-19(16-8-20(23(33)12-34-13-23)22(29-10-16)35-6-5-31)9-18(11-28-14)30-21(32)15-3-2-4-17(7-15)24(25,26)27/h2-4,7-11,31,33H,5-6,12-13H2,1H3,(H,30,32)
InChIKeyPIILVYHHFKHLER-UHFFFAOYSA-N
MW489.45 g/mol
LogP3.31
Rot. Bonds7

About N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 134609388) has the molecular formula C24H22F3N3O5 and a molecular weight of 489.45 g/mol. Its IUPAC name is N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID134609388
Molecular FormulaC24H22F3N3O5
Molecular Weight489.45 g/mol
Exact Mass489.15
IUPAC NameN-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(C2(O)COC2)c1
InChIInChI=1S/C24H22F3N3O5/c1-14-19(16-8-20(23(33)12-34-13-23)22(29-10-16)35-6-5-31)9-18(11-28-14)30-21(32)15-3-2-4-17(7-15)24(25,26)27/h2-4,7-11,31,33H,5-6,12-13H2,1H3,(H,30,32)
InChIKeyPIILVYHHFKHLER-UHFFFAOYSA-N
XLogP3.31
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 134609388) is N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(C2(O)COC2)c1.
What is the InChIKey of N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PIILVYHHFKHLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O5/c1-14-19(16-8-20(23(33)12-34-13-23)22(29-10-16)35-6-5-31)9-18(11-28-14)30-21(32)15-3-2-4-17(7-15)24(25,26)27/h2-4,7-11,31,33H,5-6,12-13H2,1H3,(H,30,32).
What are the key properties of N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 489.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(2-hydroxyethoxy)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134609388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).