6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

C21H29F3N4O3 — CID 122179275

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF
InChIInChI=1S/C21H29F3N4O3/c1-3-20(4-2,19(30)25-10-9-22)27-17(29)15-7-8-16(28-12-21(23,24)13-28)18(26-15)31-11-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,25,30)(H,27,29)
InChIKeySPIVMZAFVVMBMD-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.70
Rot. Bonds11

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (PubChem CID 122179275) has the molecular formula C21H29F3N4O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
PubChem CID122179275
Molecular FormulaC21H29F3N4O3
Molecular Weight442.48 g/mol
Exact Mass442.22
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF
InChIInChI=1S/C21H29F3N4O3/c1-3-20(4-2,19(30)25-10-9-22)27-17(29)15-7-8-16(28-12-21(23,24)13-28)18(26-15)31-11-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,25,30)(H,27,29)
InChIKeySPIVMZAFVVMBMD-UHFFFAOYSA-N
XLogP2.70
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide 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 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (CID 122179275) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is SPIVMZAFVVMBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N4O3/c1-3-20(4-2,19(30)25-10-9-22)27-17(29)15-7-8-16(28-12-21(23,24)13-28)18(26-15)31-11-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,25,30)(H,27,29).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 2.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122179275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).