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

C24H21F4N3O4 — CID 134609730

IUPACN-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(C2(F)COC2)c1
InChIInChI=1S/C24H21F4N3O4/c1-14-19(16-8-20(23(25)12-34-13-23)22(30-10-16)35-6-5-32)9-18(11-29-14)31-21(33)15-3-2-4-17(7-15)24(26,27)28/h2-4,7-11,32H,5-6,12-13H2,1H3,(H,31,33)
InChIKeyBCRITNOMXRPKQD-UHFFFAOYSA-N
MW491.44 g/mol
LogP4.29
Rot. Bonds7

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

N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 134609730) has the molecular formula C24H21F4N3O4 and a molecular weight of 491.44 g/mol. Its IUPAC name is N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID134609730
Molecular FormulaC24H21F4N3O4
Molecular Weight491.44 g/mol
Exact Mass491.15
IUPAC NameN-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(C2(F)COC2)c1
InChIInChI=1S/C24H21F4N3O4/c1-14-19(16-8-20(23(25)12-34-13-23)22(30-10-16)35-6-5-32)9-18(11-29-14)31-21(33)15-3-2-4-17(7-15)24(26,27)28/h2-4,7-11,32H,5-6,12-13H2,1H3,(H,31,33)
InChIKeyBCRITNOMXRPKQD-UHFFFAOYSA-N
XLogP4.29
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.44
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 134609730) is N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(C2(F)COC2)c1.
What is the InChIKey of N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BCRITNOMXRPKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O4/c1-14-19(16-8-20(23(25)12-34-13-23)22(30-10-16)35-6-5-32)9-18(11-29-14)31-21(33)15-3-2-4-17(7-15)24(26,27)28/h2-4,7-11,32H,5-6,12-13H2,1H3,(H,31,33).
What are the key properties of N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 491.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134609730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).