3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

C19H20FN5O3S — CID 87400065

About 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 87400065) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
• PubChem CID: 87400065
• Molecular Formula: C19H20FN5O3S
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.13
• IUPAC Name: 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
• SMILES: O=C(Nc1nccs1)C(CC1CCCCC1)n1c(=O)[nH]c2ncc(F)cc2c1=O
• InChI: InChI=1S/C19H20FN5O3S/c20-12-9-13-15(22-10-12)23-19(28)25(17(13)27)14(8-11-4-2-1-3-5-11)16(26)24-18-21-6-7-29-18/h6-7,9-11,14H,1-5,8H2,(H,21,24,26)(H,22,23,28)
• InChIKey: GTJJWEADLZHQKH-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 109.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 87400065) is 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(CC1CCCCC1)n1c(=O)[nH]c2ncc(F)cc2c1=O.

What is the InChIKey of 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

The InChIKey is GTJJWEADLZHQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c20-12-9-13-15(22-10-12)23-19(28)25(17(13)27)14(8-11-4-2-1-3-5-11)16(26)24-18-21-6-7-29-18/h6-7,9-11,14H,1-5,8H2,(H,21,24,26)(H,22,23,28).

What are the key properties of 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 417.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87400065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).