3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

C20H21FN4O3 — CID 46563604

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 46563604) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
• PubChem CID: 46563604
• Molecular Formula: C20H21FN4O3
• Molecular Weight: 384.41 g/mol
• Exact Mass: 384.16
• IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC(=O)Nc1cccc(F)c1
• InChI: InChI=1S/C20H21FN4O3/c1-12-16(13(2)23-20(28)17(12)10-22)7-8-19(27)25(3)11-18(26)24-15-6-4-5-14(21)9-15/h4-6,9H,7-8,11H2,1-3H3,(H,23,28)(H,24,26)
• InChIKey: OMVMUTZPWIXDOK-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 106.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.41
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?

The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (CID 46563604) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.

What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?

The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC(=O)Nc1cccc(F)c1.

What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?

The InChIKey is OMVMUTZPWIXDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-12-16(13(2)23-20(28)17(12)10-22)7-8-19(27)25(3)11-18(26)24-15-6-4-5-14(21)9-15/h4-6,9H,7-8,11H2,1-3H3,(H,23,28)(H,24,26).

What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 384.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 46563604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).