N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide

C16H18N2O4S — CID 140582609

IUPACN-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1)c1ccc(O)c(S(C)(=O)=O)c1
InChIInChI=1S/C16H18N2O4S/c1-3-13(18-16(20)11-6-8-17-9-7-11)12-4-5-14(19)15(10-12)23(2,21)22/h4-10,13,19H,3H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyUOZJWVMYPKFEPX-ZDUSSCGKSA-N
MW334.40 g/mol
LogP2.07
Rot. Bonds5

About N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide

N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide (PubChem CID 140582609) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
PubChem CID140582609
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1)c1ccc(O)c(S(C)(=O)=O)c1
InChIInChI=1S/C16H18N2O4S/c1-3-13(18-16(20)11-6-8-17-9-7-11)12-4-5-14(19)15(10-12)23(2,21)22/h4-10,13,19H,3H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyUOZJWVMYPKFEPX-ZDUSSCGKSA-N
XLogP2.07
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582673
N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 140582861
N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide
CID 140582675
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide
CID 140582708
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
CID 140582644
N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)propyl]pyridine-4-carboxamide
CID 140582728
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-[1-(2-ethylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582653
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide
CID 132658898

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide (CID 140582609) is N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide is CC[C@H](NC(=O)c1ccncc1)c1ccc(O)c(S(C)(=O)=O)c1.
What is the InChIKey of N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide?
The InChIKey is UOZJWVMYPKFEPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-13(18-16(20)11-6-8-17-9-7-11)12-4-5-14(19)15(10-12)23(2,21)22/h4-10,13,19H,3H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide?
N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).