2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide

C20H26N2O3 — CID 99787914

IUPAC2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide
SMILESCC[C@H](C)Oc1cc(C(=O)NCC[C@@](C)(O)c2ccccc2)ccn1
InChIInChI=1S/C20H26N2O3/c1-4-15(2)25-18-14-16(10-12-21-18)19(23)22-13-11-20(3,24)17-8-6-5-7-9-17/h5-10,12,14-15,24H,4,11,13H2,1-3H3,(H,22,23)/t15-,20+/m0/s1
InChIKeyWCUCNCFGPVVNGN-MGPUTAFESA-N
MW342.44 g/mol
LogP3.29
Rot. Bonds8

About 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide

2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide (PubChem CID 99787914) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide
PubChem CID99787914
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide
SMILESCC[C@H](C)Oc1cc(C(=O)NCC[C@@](C)(O)c2ccccc2)ccn1
InChIInChI=1S/C20H26N2O3/c1-4-15(2)25-18-14-16(10-12-21-18)19(23)22-13-11-20(3,24)17-8-6-5-7-9-17/h5-10,12,14-15,24H,4,11,13H2,1-3H3,(H,22,23)/t15-,20+/m0/s1
InChIKeyWCUCNCFGPVVNGN-MGPUTAFESA-N
XLogP3.29
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-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 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide (CID 99787914) is 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide is CC[C@H](C)Oc1cc(C(=O)NCC[C@@](C)(O)c2ccccc2)ccn1.
What is the InChIKey of 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide?
The InChIKey is WCUCNCFGPVVNGN-MGPUTAFESA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-15(2)25-18-14-16(10-12-21-18)19(23)22-13-11-20(3,24)17-8-6-5-7-9-17/h5-10,12,14-15,24H,4,11,13H2,1-3H3,(H,22,23)/t15-,20+/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide?
2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]oxy-N-[(3R)-3-hydroxy-3-phenylbutyl]pyridine-4-carboxamide is sourced from PubChem (CID 99787914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).