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

C25H31FN4O4 — CID 59361569

IUPAC3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide
SMILESCOc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(C)cc(F)c4)C3)CC2)cn1
InChIInChI=1S/C25H31FN4O4/c1-16-9-17(11-19(26)10-16)24(32)28-13-22(31)29-20-14-30(15-20)21-5-7-25(33,8-6-21)18-3-4-23(34-2)27-12-18/h3-4,9-12,20-21,33H,5-8,13-15H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyMMOWYADBIWIAKM-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.90
Rot. Bonds7

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

3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide (PubChem CID 59361569) has the molecular formula C25H31FN4O4 and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide
PubChem CID59361569
Molecular FormulaC25H31FN4O4
Molecular Weight470.55 g/mol
Exact Mass470.23
IUPAC Name3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide
SMILESCOc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(C)cc(F)c4)C3)CC2)cn1
InChIInChI=1S/C25H31FN4O4/c1-16-9-17(11-19(26)10-16)24(32)28-13-22(31)29-20-14-30(15-20)21-5-7-25(33,8-6-21)18-3-4-23(34-2)27-12-18/h3-4,9-12,20-21,33H,5-8,13-15H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyMMOWYADBIWIAKM-UHFFFAOYSA-N
XLogP1.90
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide (CID 59361569) is 3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide is COc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cc(C)cc(F)c4)C3)CC2)cn1.
What is the InChIKey of 3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide?
The InChIKey is MMOWYADBIWIAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O4/c1-16-9-17(11-19(26)10-16)24(32)28-13-22(31)29-20-14-30(15-20)21-5-7-25(33,8-6-21)18-3-4-23(34-2)27-12-18/h3-4,9-12,20-21,33H,5-8,13-15H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of 3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide?
3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide has a molecular weight of 470.55 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-5-methylbenzamide is sourced from PubChem (CID 59361569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).