4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C24H21F3N2O3 — CID 134609699

IUPAC4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2ccc(CO)c(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1
InChIInChI=1S/C24H21F3N2O3/c1-14-21(16-4-2-3-15(7-16)19-12-32-13-19)9-20(10-28-14)29-23(31)17-5-6-18(11-30)22(8-17)24(25,26)27/h2-10,19,30H,11-13H2,1H3,(H,29,31)
InChIKeyJVPUDWMUUHFIJM-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.93
Rot. Bonds5

About 4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 134609699) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID134609699
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2ccc(CO)c(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1
InChIInChI=1S/C24H21F3N2O3/c1-14-21(16-4-2-3-15(7-16)19-12-32-13-19)9-20(10-28-14)29-23(31)17-5-6-18(11-30)22(8-17)24(25,26)27/h2-10,19,30H,11-13H2,1H3,(H,29,31)
InChIKeyJVPUDWMUUHFIJM-UHFFFAOYSA-N
XLogP4.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 134609699) is 4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2ccc(CO)c(C(F)(F)F)c2)cc1-c1cccc(C2COC2)c1.
What is the InChIKey of 4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JVPUDWMUUHFIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c1-14-21(16-4-2-3-15(7-16)19-12-32-13-19)9-20(10-28-14)29-23(31)17-5-6-18(11-30)22(8-17)24(25,26)27/h2-10,19,30H,11-13H2,1H3,(H,29,31).
What are the key properties of 4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 442.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134609699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).