N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide

C18H24N2O3S — CID 77083262

IUPACN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCC(CO)Cc2cccs2)c(=O)n1C
InChIInChI=1S/C18H24N2O3S/c1-12(2)16-7-6-15(18(23)20(16)3)17(22)19-10-13(11-21)9-14-5-4-8-24-14/h4-8,12-13,21H,9-11H2,1-3H3,(H,19,22)
InChIKeySRQKKYMLLRHFRZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.15
Rot. Bonds7

About N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide

N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide (PubChem CID 77083262) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide
PubChem CID77083262
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCC(CO)Cc2cccs2)c(=O)n1C
InChIInChI=1S/C18H24N2O3S/c1-12(2)16-7-6-15(18(23)20(16)3)17(22)19-10-13(11-21)9-14-5-4-8-24-14/h4-8,12-13,21H,9-11H2,1-3H3,(H,19,22)
InChIKeySRQKKYMLLRHFRZ-UHFFFAOYSA-N
XLogP2.15
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97133856
1-methyl-N-[4-(methylamino)butyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide
CID 74250998
1-(1,3-dimethylpyrazol-4-yl)-3-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]urea
CID 97434401
1-(1,3-dimethylpyrazol-4-yl)-3-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]urea
CID 97434400
2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
CID 74246897
2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide
CID 97139042
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70749928
2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol
CID 117246313
4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide
CID 119335347
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
CID 74230031
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
6-oxo-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyridine-2-carboxamide
CID 107261945

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide (CID 77083262) is N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide is CC(C)c1ccc(C(=O)NCC(CO)Cc2cccs2)c(=O)n1C.
What is the InChIKey of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The InChIKey is SRQKKYMLLRHFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-12(2)16-7-6-15(18(23)20(16)3)17(22)19-10-13(11-21)9-14-5-4-8-24-14/h4-8,12-13,21H,9-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 77083262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).