6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide

C22H34FN3O5 — CID 150564176

IUPAC6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
SMILESCOC1CN(c2ccc(C(=O)N[C@H](CO)CC(C)C)nc2OC[C@H]2C[C@@H]2COCF)C1
InChIInChI=1S/C22H34FN3O5/c1-14(2)6-17(10-27)24-21(28)19-4-5-20(26-8-18(9-26)29-3)22(25-19)31-12-16-7-15(16)11-30-13-23/h4-5,14-18,27H,6-13H2,1-3H3,(H,24,28)/t15-,16-,17+/m1/s1
InChIKeyIKMFVKQQOBZCPY-ZACQAIPSSA-N
MW439.53 g/mol
LogP2.01
Rot. Bonds13

About 6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide

6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide (PubChem CID 150564176) has the molecular formula C22H34FN3O5 and a molecular weight of 439.53 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
PubChem CID150564176
Molecular FormulaC22H34FN3O5
Molecular Weight439.53 g/mol
Exact Mass439.25
IUPAC Name6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
SMILESCOC1CN(c2ccc(C(=O)N[C@H](CO)CC(C)C)nc2OC[C@H]2C[C@@H]2COCF)C1
InChIInChI=1S/C22H34FN3O5/c1-14(2)6-17(10-27)24-21(28)19-4-5-20(26-8-18(9-26)29-3)22(25-19)31-12-16-7-15(16)11-30-13-23/h4-5,14-18,27H,6-13H2,1-3H3,(H,24,28)/t15-,16-,17+/m1/s1
InChIKeyIKMFVKQQOBZCPY-ZACQAIPSSA-N
XLogP2.01
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-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-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide (CID 150564176) is 6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide is COC1CN(c2ccc(C(=O)N[C@H](CO)CC(C)C)nc2OC[C@H]2C[C@@H]2COCF)C1.
What is the InChIKey of 6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
The InChIKey is IKMFVKQQOBZCPY-ZACQAIPSSA-N. The full InChI is InChI=1S/C22H34FN3O5/c1-14(2)6-17(10-27)24-21(28)19-4-5-20(26-8-18(9-26)29-3)22(25-19)31-12-16-7-15(16)11-30-13-23/h4-5,14-18,27H,6-13H2,1-3H3,(H,24,28)/t15-,16-,17+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide?
6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 2.01, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 150564176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).