3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide

C23H22N4O2S — CID 112773374

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 112773374) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 112773374
• Molecular Formula: C23H22N4O2S
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.15
• IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1
• InChI: InChI=1S/C23H22N4O2S/c1-13-18(14(2)25-22(29)19(13)11-24)8-9-21(28)27-23-26-20(12-30-23)17-7-6-15-4-3-5-16(15)10-17/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,25,29)(H,26,27,28)
• InChIKey: SXSXOXJXNCBIDT-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 98.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide (CID 112773374) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1.

What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is SXSXOXJXNCBIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-13-18(14(2)25-22(29)19(13)11-24)8-9-21(28)27-23-26-20(12-30-23)17-7-6-15-4-3-5-16(15)10-17/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,25,29)(H,26,27,28).

What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide?

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 418.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 112773374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).