6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

C28H33N3O4 — CID 134233406

About 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 134233406) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

• Compound Name: 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
• PubChem CID: 134233406
• Molecular Formula: C28H33N3O4
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.25
• IUPAC Name: 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
• SMILES: CC[C@H](CC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCOC2)c1ccc(OC)nc1
• InChI: InChI=1S/C28H33N3O4/c1-4-19(21-11-12-27(34-3)29-17-21)15-26(32)24-16-22(25-18-35-14-13-31(24)25)28(33)30-23(5-2)20-9-7-6-8-10-20/h6-12,16-17,19,23H,4-5,13-15,18H2,1-3H3,(H,30,33)/t19-,23-/m1/s1
• InChIKey: GOBFEZDJTLKNSU-AUSIDOKSSA-N
• XLogP: 5.07
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?

The IUPAC name of 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (CID 134233406) is 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.

What is the SMILES notation for 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?

The canonical SMILES for 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is CC[C@H](CC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2n1CCOC2)c1ccc(OC)nc1.

What is the InChIKey of 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?

The InChIKey is GOBFEZDJTLKNSU-AUSIDOKSSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-4-19(21-11-12-27(34-3)29-17-21)15-26(32)24-16-22(25-18-35-14-13-31(24)25)28(33)30-23(5-2)20-9-7-6-8-10-20/h6-12,16-17,19,23H,4-5,13-15,18H2,1-3H3,(H,30,33)/t19-,23-/m1/s1.

What are the key properties of 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?

6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-3-(6-methoxy-3-pyridinyl)pentanoyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 134233406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).