N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide

C14H16N2O3S — CID 111452101

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC(C)(O)c2ccsc2)ccc1=O
InChIInChI=1S/C14H16N2O3S/c1-14(19,11-5-6-20-8-11)9-15-13(18)10-3-4-12(17)16(2)7-10/h3-8,19H,9H2,1-2H3,(H,15,18)
InChIKeyQYNIAZMBPPEBFZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.08
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 111452101) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID111452101
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC(C)(O)c2ccsc2)ccc1=O
InChIInChI=1S/C14H16N2O3S/c1-14(19,11-5-6-20-8-11)9-15-13(18)10-3-4-12(17)16(2)7-10/h3-8,19H,9H2,1-2H3,(H,15,18)
InChIKeyQYNIAZMBPPEBFZ-UHFFFAOYSA-N
XLogP1.08
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
3-tert-butyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methylpyrazole-5-carboxamide
CID 111452270
4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452036
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
CID 111452010
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide
CID 111452292

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide (CID 111452101) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NCC(C)(O)c2ccsc2)ccc1=O.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is QYNIAZMBPPEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-14(19,11-5-6-20-8-11)9-15-13(18)10-3-4-12(17)16(2)7-10/h3-8,19H,9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 111452101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).