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

C23H30F3N5O2 — CID 54769753

IUPACN-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide
SMILESCCC(O)C1CCC(N2CC(NC(=O)CNc3nccc4ncc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C23H30F3N5O2/c1-2-20(32)14-3-5-17(6-4-14)31-12-16(13-31)30-21(33)11-29-22-18-9-15(23(24,25)26)10-28-19(18)7-8-27-22/h7-10,14,16-17,20,32H,2-6,11-13H2,1H3,(H,27,29)(H,30,33)
InChIKeyWKIBICRMTBIBLY-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.19
Rot. Bonds7

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

N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide (PubChem CID 54769753) has the molecular formula C23H30F3N5O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide
PubChem CID54769753
Molecular FormulaC23H30F3N5O2
Molecular Weight465.52 g/mol
Exact Mass465.24
IUPAC NameN-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide
SMILESCCC(O)C1CCC(N2CC(NC(=O)CNc3nccc4ncc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C23H30F3N5O2/c1-2-20(32)14-3-5-17(6-4-14)31-12-16(13-31)30-21(33)11-29-22-18-9-15(23(24,25)26)10-28-19(18)7-8-27-22/h7-10,14,16-17,20,32H,2-6,11-13H2,1H3,(H,27,29)(H,30,33)
InChIKeyWKIBICRMTBIBLY-UHFFFAOYSA-N
XLogP3.19
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(3-aminopyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54768835
N-(1-(4-(pyridin-2-yl)cyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide
CID 54771980
N-(1-(4-(pyridin-3-yl)cyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide
CID 54772203
7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
CID 137363278
N-[1-[4-(1-hydroxyprop-2-enyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54768839
N-[1-[4-(1-hydroxybut-3-enyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769070
N-[1-[4-(1-hydroxyethyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769071
N-[1-[4-(1-hydroxy-2,2-dimethylpropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769072
N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769073
N-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769747
N-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769748
N-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 54769954

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide (CID 54769753) is N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide is CCC(O)C1CCC(N2CC(NC(=O)CNc3nccc4ncc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide?
The InChIKey is WKIBICRMTBIBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O2/c1-2-20(32)14-3-5-17(6-4-14)31-12-16(13-31)30-21(33)11-29-22-18-9-15(23(24,25)26)10-28-19(18)7-8-27-22/h7-10,14,16-17,20,32H,2-6,11-13H2,1H3,(H,27,29)(H,30,33).
What are the key properties of N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide?
N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide has a molecular weight of 465.52 g/mol, XLogP of 3.19, 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-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[3-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]acetamide is sourced from PubChem (CID 54769753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).