N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide

C20H21F2N3O3 — CID 125007892

About N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide

N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide (PubChem CID 125007892) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide
• PubChem CID: 125007892
• Molecular Formula: C20H21F2N3O3
• Molecular Weight: 389.40 g/mol
• Exact Mass: 389.16
• IUPAC Name: N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide
• SMILES: CC(=O)NCC(=O)N1CCO[C@H](c2cccc(Cc3c(F)cccc3F)n2)C1
• InChI: InChI=1S/C20H21F2N3O3/c1-13(26)23-11-20(27)25-8-9-28-19(12-25)18-7-2-4-14(24-18)10-15-16(21)5-3-6-17(15)22/h2-7,19H,8-12H2,1H3,(H,23,26)/t19-/m0/s1
• InChIKey: UQZWFUWFAKUIOJ-IBGZPJMESA-N
• XLogP: 1.99
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.40
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide (CID 125007892) is N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCO[C@H](c2cccc(Cc3c(F)cccc3F)n2)C1.

What is the InChIKey of N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide?

The InChIKey is UQZWFUWFAKUIOJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-13(26)23-11-20(27)25-8-9-28-19(12-25)18-7-2-4-14(24-18)10-15-16(21)5-3-6-17(15)22/h2-7,19H,8-12H2,1H3,(H,23,26)/t19-/m0/s1.

What are the key properties of N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide?

N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide has a molecular weight of 389.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 125007892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).