N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide

C24H32F3N5O2 — CID 54769961

IUPACN-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide
SMILESCC(C)C(O)C1CCC(N2CC(NC(=O)CNc3nccc4ncc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-3-5-18(6-4-15)32-12-17(13-32)31-21(33)11-30-23-19-9-16(24(25,26)27)10-29-20(19)7-8-28-23/h7-10,14-15,17-18,22,34H,3-6,11-13H2,1-2H3,(H,28,30)(H,31,33)
InChIKeyLRTHXEJLGFGXPG-UHFFFAOYSA-N
MW479.55 g/mol
LogP3.44
Rot. Bonds7

About N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide

N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide (PubChem CID 54769961) has the molecular formula C24H32F3N5O2 and a molecular weight of 479.55 g/mol. Its IUPAC name is N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide
PubChem CID54769961
Molecular FormulaC24H32F3N5O2
Molecular Weight479.55 g/mol
Exact Mass479.25
IUPAC NameN-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide
SMILESCC(C)C(O)C1CCC(N2CC(NC(=O)CNc3nccc4ncc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-3-5-18(6-4-15)32-12-17(13-32)31-21(33)11-30-23-19-9-16(24(25,26)27)10-29-20(19)7-8-28-23/h7-10,14-15,17-18,22,34H,3-6,11-13H2,1-2H3,(H,28,30)(H,31,33)
InChIKeyLRTHXEJLGFGXPG-UHFFFAOYSA-N
XLogP3.44
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide (CID 54769961) is N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide is CC(C)C(O)C1CCC(N2CC(NC(=O)CNc3nccc4ncc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide?
The InChIKey is LRTHXEJLGFGXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-3-5-18(6-4-15)32-12-17(13-32)31-21(33)11-30-23-19-9-16(24(25,26)27)10-29-20(19)7-8-28-23/h7-10,14-15,17-18,22,34H,3-6,11-13H2,1-2H3,(H,28,30)(H,31,33).
What are the key properties of N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide?
N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide has a molecular weight of 479.55 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide is sourced from PubChem (CID 54769961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).