6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide

C22H23FN4O3 — CID 69371491

About 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide

6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 69371491) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide
• PubChem CID: 69371491
• Molecular Formula: C22H23FN4O3
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.18
• IUPAC Name: 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide
• SMILES: CC(C)c1cc(Nc2ccc(F)c(C#N)c2)ncc1C(=O)NCC1CCOC(=O)C1
• InChI: InChI=1S/C22H23FN4O3/c1-13(2)17-9-20(27-16-3-4-19(23)15(8-16)10-24)25-12-18(17)22(29)26-11-14-5-6-30-21(28)7-14/h3-4,8-9,12-14H,5-7,11H2,1-2H3,(H,25,27)(H,26,29)
• InChIKey: AUWLKMPOQWVYQI-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 104.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide?

The IUPAC name of 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide (CID 69371491) is 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide.

What is the SMILES notation for 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide?

The canonical SMILES for 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide is CC(C)c1cc(Nc2ccc(F)c(C#N)c2)ncc1C(=O)NCC1CCOC(=O)C1.

What is the InChIKey of 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide?

The InChIKey is AUWLKMPOQWVYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-13(2)17-9-20(27-16-3-4-19(23)15(8-16)10-24)25-12-18(17)22(29)26-11-14-5-6-30-21(28)7-14/h3-4,8-9,12-14H,5-7,11H2,1-2H3,(H,25,27)(H,26,29).

What are the key properties of 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide?

6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyano-4-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 69371491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).