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

C23H30F3N5O2 — CID 54769959

IUPACN-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide
SMILESCCC(O)C1CCC(N2CC(NC(=O)CNc3cnnc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C23H30F3N5O2/c1-2-21(32)14-3-6-17(7-4-14)31-12-16(13-31)29-22(33)11-27-20-10-28-30-19-8-5-15(9-18(19)20)23(24,25)26/h5,8-10,14,16-17,21,32H,2-4,6-7,11-13H2,1H3,(H,27,30)(H,29,33)
InChIKeyWEIZWVDGZXWSCA-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.19
Rot. Bonds7

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

N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide (PubChem CID 54769959) 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-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide
PubChem CID54769959
Molecular FormulaC23H30F3N5O2
Molecular Weight465.52 g/mol
Exact Mass465.24
IUPAC NameN-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide
SMILESCCC(O)C1CCC(N2CC(NC(=O)CNc3cnnc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C23H30F3N5O2/c1-2-21(32)14-3-6-17(7-4-14)31-12-16(13-31)29-22(33)11-27-20-10-28-30-19-8-5-15(9-18(19)20)23(24,25)26/h5,8-10,14,16-17,21,32H,2-4,6-7,11-13H2,1H3,(H,27,30)(H,29,33)
InChIKeyWEIZWVDGZXWSCA-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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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide (CID 54769959) is N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide is CCC(O)C1CCC(N2CC(NC(=O)CNc3cnnc4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide?
The InChIKey is WEIZWVDGZXWSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O2/c1-2-21(32)14-3-6-17(7-4-14)31-12-16(13-31)29-22(33)11-27-20-10-28-30-19-8-5-15(9-18(19)20)23(24,25)26/h5,8-10,14,16-17,21,32H,2-4,6-7,11-13H2,1H3,(H,27,30)(H,29,33).
What are the key properties of N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide?
N-[1-[4-(1-hydroxypropyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)cinnolin-4-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-[[6-(trifluoromethyl)cinnolin-4-yl]amino]acetamide is sourced from PubChem (CID 54769959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).