N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide

C20H26FN3O2 — CID 71050272

IUPACN-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide
SMILESCNCCC(=O)N[C@H](CF)[C@H](OC)c1ccc(-c2ccc(C)nc2)cc1
InChIInChI=1S/C20H26FN3O2/c1-14-4-5-17(13-23-14)15-6-8-16(9-7-15)20(26-3)18(12-21)24-19(25)10-11-22-2/h4-9,13,18,20,22H,10-12H2,1-3H3,(H,24,25)/t18-,20-/m1/s1
InChIKeyXRLUYSBDQXYWPT-UYAOXDASSA-N
MW359.45 g/mol
LogP2.81
Rot. Bonds9

About N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide

N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide (PubChem CID 71050272) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide
PubChem CID71050272
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide
SMILESCNCCC(=O)N[C@H](CF)[C@H](OC)c1ccc(-c2ccc(C)nc2)cc1
InChIInChI=1S/C20H26FN3O2/c1-14-4-5-17(13-23-14)15-6-8-16(9-7-15)20(26-3)18(12-21)24-19(25)10-11-22-2/h4-9,13,18,20,22H,10-12H2,1-3H3,(H,24,25)/t18-,20-/m1/s1
InChIKeyXRLUYSBDQXYWPT-UYAOXDASSA-N
XLogP2.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide 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 N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide?
The IUPAC name of N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide (CID 71050272) is N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide.
What is the SMILES notation for N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide?
The canonical SMILES for N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide is CNCCC(=O)N[C@H](CF)[C@H](OC)c1ccc(-c2ccc(C)nc2)cc1.
What is the InChIKey of N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide?
The InChIKey is XRLUYSBDQXYWPT-UYAOXDASSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-14-4-5-17(13-23-14)15-6-8-16(9-7-15)20(26-3)18(12-21)24-19(25)10-11-22-2/h4-9,13,18,20,22H,10-12H2,1-3H3,(H,24,25)/t18-,20-/m1/s1.
What are the key properties of N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide?
N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide has a molecular weight of 359.45 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-3-fluoro-1-methoxy-1-[4-(6-methyl-3-pyridinyl)phenyl]propan-2-yl]-3-(methylamino)propanamide is sourced from PubChem (CID 71050272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).