3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide

C13H14N2O2S — CID 94204034

IUPAC3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)c2ncccc2O)s1
InChIInChI=1S/C13H14N2O2S/c1-8-5-6-11(18-8)9(2)15-13(17)12-10(16)4-3-7-14-12/h3-7,9,16H,1-2H3,(H,15,17)/t9-/m0/s1
InChIKeyQYJXRYUGEOADDQ-VIFPVBQESA-N
MW262.33 g/mol
LogP2.65
Rot. Bonds3

About 3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide

3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 94204034) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID94204034
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)c2ncccc2O)s1
InChIInChI=1S/C13H14N2O2S/c1-8-5-6-11(18-8)9(2)15-13(17)12-10(16)4-3-7-14-12/h3-7,9,16H,1-2H3,(H,15,17)/t9-/m0/s1
InChIKeyQYJXRYUGEOADDQ-VIFPVBQESA-N
XLogP2.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 54861340
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 61343707
3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54861412
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 107731673
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 104741138
4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 102851500
2-bromo-6-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 115678760
2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 106501543
4-amino-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 81240985
3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide
CID 104508689

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide (CID 94204034) is 3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide is Cc1ccc([C@H](C)NC(=O)c2ncccc2O)s1.
What is the InChIKey of 3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is QYJXRYUGEOADDQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-5-6-11(18-8)9(2)15-13(17)12-10(16)4-3-7-14-12/h3-7,9,16H,1-2H3,(H,15,17)/t9-/m0/s1.
What are the key properties of 3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 94204034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).