azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate

C21H24F3N5O3 — CID 176837559

IUPACazetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate
SMILESCc1cnc(NC(=O)OC2CNC2)cc1-c1cc(N2CCCC[C@@H]2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C21H24F3N5O3/c1-12-9-26-17(27-20(31)32-14-10-25-11-14)8-15(12)13-6-18(28-19(30)7-13)29-5-3-2-4-16(29)21(22,23)24/h6-9,14,16,25H,2-5,10-11H2,1H3,(H,28,30)(H,26,27,31)/t16-/m1/s1
InChIKeyVXOPUHZISQEAMZ-MRXNPFEDSA-N
MW451.45 g/mol
LogP3.19
Rot. Bonds4

About azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate

azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate (PubChem CID 176837559) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameazetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate
PubChem CID176837559
Molecular FormulaC21H24F3N5O3
Molecular Weight451.45 g/mol
Exact Mass451.18
IUPAC Nameazetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate
SMILESCc1cnc(NC(=O)OC2CNC2)cc1-c1cc(N2CCCC[C@@H]2C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C21H24F3N5O3/c1-12-9-26-17(27-20(31)32-14-10-25-11-14)8-15(12)13-6-18(28-19(30)7-13)29-5-3-2-4-16(29)21(22,23)24/h6-9,14,16,25H,2-5,10-11H2,1H3,(H,28,30)(H,26,27,31)/t16-/m1/s1
InChIKeyVXOPUHZISQEAMZ-MRXNPFEDSA-N
XLogP3.19
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate 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 azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate?
The IUPAC name of azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate (CID 176837559) is azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate?
The canonical SMILES for azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate is Cc1cnc(NC(=O)OC2CNC2)cc1-c1cc(N2CCCC[C@@H]2C(F)(F)F)[nH]c(=O)c1.
What is the InChIKey of azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate?
The InChIKey is VXOPUHZISQEAMZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c1-12-9-26-17(27-20(31)32-14-10-25-11-14)8-15(12)13-6-18(28-19(30)7-13)29-5-3-2-4-16(29)21(22,23)24/h6-9,14,16,25H,2-5,10-11H2,1H3,(H,28,30)(H,26,27,31)/t16-/m1/s1.
What are the key properties of azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate?
azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate has a molecular weight of 451.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl N-[5-methyl-4-[2-oxo-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-4-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 176837559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).