N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide

C16H15N3O3S — CID 122603196

IUPACN-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CO)sc23)ccn1
InChIInChI=1S/C16H15N3O3S/c1-9(21)18-14-5-10(3-4-17-14)13-7-19(2)16(22)12-6-11(8-20)23-15(12)13/h3-7,20H,8H2,1-2H3,(H,17,18,21)
InChIKeyGASDFBFADFCWLJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.11
Rot. Bonds3

About N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide

N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide (PubChem CID 122603196) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
PubChem CID122603196
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CO)sc23)ccn1
InChIInChI=1S/C16H15N3O3S/c1-9(21)18-14-5-10(3-4-17-14)13-7-19(2)16(22)12-6-11(8-20)23-15(12)13/h3-7,20H,8H2,1-2H3,(H,17,18,21)
InChIKeyGASDFBFADFCWLJ-UHFFFAOYSA-N
XLogP2.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[4-[2-[(4-ethylsulfinylpiperazin-1-yl)methyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144628540
N-[4-[2-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 122603120
N-[4-[5-methyl-2-(6-methylsulfonyl-2-propyloctyl)-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 123945284
N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662597
N-[4-[5-methyl-4-oxo-2-[(3-oxo-1,4-diazepan-1-yl)methyl]furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662552
N-[4-[5-methyl-2-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299734
N-[4-[5-methyl-2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662591
N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299478
N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144702185
N-[4-[5-methyl-2-[[(2R)-2-methyl-4-(4-methyl-1,3-dioxetan-2-yl)piperazin-1-yl]methyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144702126
N-methyl-N-[4-[5-methyl-2-[[(2R)-2-methyl-4-(2-methyl-4-oxobutanoyl)piperazin-1-yl]methyl]-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144628483
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide (CID 122603196) is N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CO)sc23)ccn1.
What is the InChIKey of N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The InChIKey is GASDFBFADFCWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9(21)18-14-5-10(3-4-17-14)13-7-19(2)16(22)12-6-11(8-20)23-15(12)13/h3-7,20H,8H2,1-2H3,(H,17,18,21).
What are the key properties of N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 122603196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).