N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide

C13H14N2O2S — CID 160892074

IUPACN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccsc1[C@H](O)CNC(=O)c1cccnc1
InChIInChI=1S/C13H14N2O2S/c1-9-4-6-18-12(9)11(16)8-15-13(17)10-3-2-5-14-7-10/h2-7,11,16H,8H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeySOKDZMZHUCYVHI-LLVKDONJSA-N
MW262.33 g/mol
LogP1.91
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide

N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 160892074) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID160892074
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccsc1[C@H](O)CNC(=O)c1cccnc1
InChIInChI=1S/C13H14N2O2S/c1-9-4-6-18-12(9)11(16)8-15-13(17)10-3-2-5-14-7-10/h2-7,11,16H,8H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeySOKDZMZHUCYVHI-LLVKDONJSA-N
XLogP1.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
CID 79987986
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-nitrobenzamide
CID 90496756
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 95982653
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110281404
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 140896583
N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118210842

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide (CID 160892074) is N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide is Cc1ccsc1[C@H](O)CNC(=O)c1cccnc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is SOKDZMZHUCYVHI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-4-6-18-12(9)11(16)8-15-13(17)10-3-2-5-14-7-10/h2-7,11,16H,8H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide?
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 160892074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).