N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide

C18H22N2O3S — CID 71782026

IUPACN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc(CC(C)(O)CNC(=O)c2cccnc2SC)cc1
InChIInChI=1S/C18H22N2O3S/c1-18(22,11-13-6-8-14(23-2)9-7-13)12-20-16(21)15-5-4-10-19-17(15)24-3/h4-10,22H,11-12H2,1-3H3,(H,20,21)
InChIKeyYZXZSUJFWAJIJL-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.54
Rot. Bonds7

About N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 71782026) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID71782026
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc(CC(C)(O)CNC(=O)c2cccnc2SC)cc1
InChIInChI=1S/C18H22N2O3S/c1-18(22,11-13-6-8-14(23-2)9-7-13)12-20-16(21)15-5-4-10-19-17(15)24-3/h4-10,22H,11-12H2,1-3H3,(H,20,21)
InChIKeyYZXZSUJFWAJIJL-UHFFFAOYSA-N
XLogP2.54
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 56724202
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 95982933
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 90498239
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42224724
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498249

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide (CID 71782026) is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide is COc1ccc(CC(C)(O)CNC(=O)c2cccnc2SC)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is YZXZSUJFWAJIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(22,11-13-6-8-14(23-2)9-7-13)12-20-16(21)15-5-4-10-19-17(15)24-3/h4-10,22H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 71782026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).