N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

C26H34F3N5O2 — CID 54769073

About N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (PubChem CID 54769073) has the molecular formula C26H34F3N5O2 and a molecular weight of 505.59 g/mol. Its IUPAC name is N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
• PubChem CID: 54769073
• Molecular Formula: C26H34F3N5O2
• Molecular Weight: 505.59 g/mol
• Exact Mass: 505.27
• IUPAC Name: N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
• SMILES: O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C(O)C3CCCC3)CC2)C1
• InChI: InChI=1S/C26H34F3N5O2/c27-26(28,29)18-7-10-22-21(11-18)25(32-15-31-22)30-12-23(35)33-19-13-34(14-19)20-8-5-17(6-9-20)24(36)16-3-1-2-4-16/h7,10-11,15-17,19-20,24,36H,1-6,8-9,12-14H2,(H,33,35)(H,30,31,32)
• InChIKey: ODZWTGQBNVOACI-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 90.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.59
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?

The IUPAC name of N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (CID 54769073) is N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.

What is the SMILES notation for N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?

The canonical SMILES for N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(C(O)C3CCCC3)CC2)C1.

What is the InChIKey of N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?

The InChIKey is ODZWTGQBNVOACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5O2/c27-26(28,29)18-7-10-22-21(11-18)25(32-15-31-22)30-12-23(35)33-19-13-34(14-19)20-8-5-17(6-9-20)24(36)16-3-1-2-4-16/h7,10-11,15-17,19-20,24,36H,1-6,8-9,12-14H2,(H,33,35)(H,30,31,32).

What are the key properties of N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?

N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide has a molecular weight of 505.59 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[cyclopentyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 54769073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).