2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide

C16H20N2O2S — CID 118544296

IUPAC2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide
SMILESCc1cc(=O)c(CNC(=O)C(C)(C)C)c(-c2cccs2)[nH]1
InChIInChI=1S/C16H20N2O2S/c1-10-8-12(19)11(9-17-15(20)16(2,3)4)14(18-10)13-6-5-7-21-13/h5-8H,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyAYFLIEPFCQNBDY-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.07
Rot. Bonds3

About 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide

2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide (PubChem CID 118544296) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide
PubChem CID118544296
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide
SMILESCc1cc(=O)c(CNC(=O)C(C)(C)C)c(-c2cccs2)[nH]1
InChIInChI=1S/C16H20N2O2S/c1-10-8-12(19)11(9-17-15(20)16(2,3)4)14(18-10)13-6-5-7-21-13/h5-8H,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyAYFLIEPFCQNBDY-UHFFFAOYSA-N
XLogP3.07
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide 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

N-[[6-(dimethylamino)-2-methyl-4-oxo-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide
CID 118544293
N-[(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544290
1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea
CID 163867469
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
N-[[6-ethyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide
CID 118544314
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide;2,2,2-trifluoroacetic acid
CID 166315398
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 95976656
N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide
CID 9034569
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 142300586
2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
N-[[6-methyl-2-(1,3-oxazol-2-yl)-4-oxo-1H-pyridin-3-yl]methyl]acetamide
CID 118544386

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide (CID 118544296) is 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide is Cc1cc(=O)c(CNC(=O)C(C)(C)C)c(-c2cccs2)[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide?
The InChIKey is AYFLIEPFCQNBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-8-12(19)11(9-17-15(20)16(2,3)4)14(18-10)13-6-5-7-21-13/h5-8H,9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide?
2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide has a molecular weight of 304.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 118544296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).