3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide

C24H28F2N4O4 — CID 46241828

IUPAC3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(F)cc(F)c4)C3)CC2)cn1
InChIInChI=1S/C24H28F2N4O4/c1-34-22-3-2-16(11-27-22)24(33)6-4-20(5-7-24)30-13-19(14-30)29-21(31)12-28-23(32)15-8-17(25)10-18(26)9-15/h2-3,8-11,19-20,33H,4-7,12-14H2,1H3,(H,28,32)(H,29,31)
InChIKeyGFOGUMGLDGIAQG-UHFFFAOYSA-N
MW474.51 g/mol
LogP1.73
Rot. Bonds7

About 3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide

3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 46241828) has the molecular formula C24H28F2N4O4 and a molecular weight of 474.51 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID46241828
Molecular FormulaC24H28F2N4O4
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC Name3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(F)cc(F)c4)C3)CC2)cn1
InChIInChI=1S/C24H28F2N4O4/c1-34-22-3-2-16(11-27-22)24(33)6-4-20(5-7-24)30-13-19(14-30)29-21(31)12-28-23(32)15-8-17(25)10-18(26)9-15/h2-3,8-11,19-20,33H,4-7,12-14H2,1H3,(H,28,32)(H,29,31)
InChIKeyGFOGUMGLDGIAQG-UHFFFAOYSA-N
XLogP1.73
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide (CID 46241828) is 3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide is COc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(F)cc(F)c4)C3)CC2)cn1.
What is the InChIKey of 3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is GFOGUMGLDGIAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O4/c1-34-22-3-2-16(11-27-22)24(33)6-4-20(5-7-24)30-13-19(14-30)29-21(31)12-28-23(32)15-8-17(25)10-18(26)9-15/h2-3,8-11,19-20,33H,4-7,12-14H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 474.51 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46241828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).