N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C16H20N2O3S — CID 97133856

IUPACN-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC[C@@H](CO)Cc2cccs2)c(=O)[nH]1
InChIInChI=1S/C16H20N2O3S/c1-10-6-11(2)18-16(21)14(10)15(20)17-8-12(9-19)7-13-4-3-5-22-13/h3-6,12,19H,7-9H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyRXNBTKOMZADXEU-LBPRGKRZSA-N
MW320.41 g/mol
LogP1.63
Rot. Bonds6

About N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 97133856) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID97133856
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC[C@@H](CO)Cc2cccs2)c(=O)[nH]1
InChIInChI=1S/C16H20N2O3S/c1-10-6-11(2)18-16(21)14(10)15(20)17-8-12(9-19)7-13-4-3-5-22-13/h3-6,12,19H,7-9H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyRXNBTKOMZADXEU-LBPRGKRZSA-N
XLogP1.63
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 71849451
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
N-[(2R)-2-hydroxy-3-phenylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97067509
N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 43501209
4,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 50969529
2-thiophen-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 75499844
N-(2-hydroxy-4-methylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103771386
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124958
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide
CID 77083262
N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95148410
2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
CID 74246897
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70749928

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 97133856) is N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC[C@@H](CO)Cc2cccs2)c(=O)[nH]1.
What is the InChIKey of N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RXNBTKOMZADXEU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10-6-11(2)18-16(21)14(10)15(20)17-8-12(9-19)7-13-4-3-5-22-13/h3-6,12,19H,7-9H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97133856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).