N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide

C17H20N2O3 — CID 94677837

IUPACN-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
SMILESCc1cccc(OC[C@@H](O)CNC(=O)c2ccc(C)nc2)c1
InChIInChI=1S/C17H20N2O3/c1-12-4-3-5-16(8-12)22-11-15(20)10-19-17(21)14-7-6-13(2)18-9-14/h3-9,15,20H,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyIIBDFNZNUUFIKV-HNNXBMFYSA-N
MW300.36 g/mol
LogP1.87
Rot. Bonds6

About N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide

N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide (PubChem CID 94677837) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
PubChem CID94677837
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
SMILESCc1cccc(OC[C@@H](O)CNC(=O)c2ccc(C)nc2)c1
InChIInChI=1S/C17H20N2O3/c1-12-4-3-5-16(8-12)22-11-15(20)10-19-17(21)14-7-6-13(2)18-9-14/h3-9,15,20H,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyIIBDFNZNUUFIKV-HNNXBMFYSA-N
XLogP1.87
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 97007174
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
CID 110904510
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 56757268
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 119304938
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94677835
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide (CID 94677837) is N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide is Cc1cccc(OC[C@@H](O)CNC(=O)c2ccc(C)nc2)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is IIBDFNZNUUFIKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-4-3-5-16(8-12)22-11-15(20)10-19-17(21)14-7-6-13(2)18-9-14/h3-9,15,20H,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide?
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 94677837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).