4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C21H24N4O4 — CID 16602320

About 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 16602320) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 16602320
• Molecular Formula: C21H24N4O4
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.18
• IUPAC Name: 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: CC(=O)N1CC(C(=O)NCc2ccc(N3CCOCC3)nc2)Oc2ccccc21
• InChI: InChI=1S/C21H24N4O4/c1-15(26)25-14-19(29-18-5-3-2-4-17(18)25)21(27)23-13-16-6-7-20(22-12-16)24-8-10-28-11-9-24/h2-7,12,19H,8-11,13-14H2,1H3,(H,23,27)
• InChIKey: RXJANLGINQBLKV-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 16602320) is 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(=O)N1CC(C(=O)NCc2ccc(N3CCOCC3)nc2)Oc2ccccc21.

What is the InChIKey of 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is RXJANLGINQBLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-15(26)25-14-19(29-18-5-3-2-4-17(18)25)21(27)23-13-16-6-7-20(22-12-16)24-8-10-28-11-9-24/h2-7,12,19H,8-11,13-14H2,1H3,(H,23,27).

What are the key properties of 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 16602320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).