6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide

C21H23ClFN3O3 — CID 69369776

About 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide

6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 69369776) has the molecular formula C21H23ClFN3O3 and a molecular weight of 419.88 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide
• PubChem CID: 69369776
• Molecular Formula: C21H23ClFN3O3
• Molecular Weight: 419.88 g/mol
• Exact Mass: 419.14
• IUPAC Name: 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide
• SMILES: CC(C)c1cc(Nc2cc(F)ccc2Cl)ncc1C(=O)NCC1CCOC(=O)C1
• InChI: InChI=1S/C21H23ClFN3O3/c1-12(2)15-9-19(26-18-8-14(23)3-4-17(18)22)24-11-16(15)21(28)25-10-13-5-6-29-20(27)7-13/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,24,26)(H,25,28)
• InChIKey: JVLDWMNKXUQZBO-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.88
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide?

The IUPAC name of 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide (CID 69369776) is 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide.

What is the SMILES notation for 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide?

The canonical SMILES for 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide is CC(C)c1cc(Nc2cc(F)ccc2Cl)ncc1C(=O)NCC1CCOC(=O)C1.

What is the InChIKey of 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide?

The InChIKey is JVLDWMNKXUQZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O3/c1-12(2)15-9-19(26-18-8-14(23)3-4-17(18)22)24-11-16(15)21(28)25-10-13-5-6-29-20(27)7-13/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,24,26)(H,25,28).

What are the key properties of 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide?

6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 419.88 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-5-fluoroanilino)-N-[(2-oxooxan-4-yl)methyl]-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 69369776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).