N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide

C18H22N2O2S — CID 135113677

IUPACN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1c[nH]c(CNC(=O)C2(c3cccs3)CC2(C)C)c(C)c1=O
InChIInChI=1S/C18H22N2O2S/c1-11-8-19-13(12(2)15(11)21)9-20-16(22)18(10-17(18,3)4)14-6-5-7-23-14/h5-8H,9-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyUSWNETKONHLZDJ-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.04
Rot. Bonds4

About N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide

N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 135113677) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID135113677
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1c[nH]c(CNC(=O)C2(c3cccs3)CC2(C)C)c(C)c1=O
InChIInChI=1S/C18H22N2O2S/c1-11-8-19-13(12(2)15(11)21)9-20-16(22)18(10-17(18,3)4)14-6-5-7-23-14/h5-8H,9-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyUSWNETKONHLZDJ-UHFFFAOYSA-N
XLogP3.04
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 135113677) is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide is Cc1c[nH]c(CNC(=O)C2(c3cccs3)CC2(C)C)c(C)c1=O.
What is the InChIKey of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is USWNETKONHLZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-11-8-19-13(12(2)15(11)21)9-20-16(22)18(10-17(18,3)4)14-6-5-7-23-14/h5-8H,9-10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 135113677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).