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

C27H32N4O4 — CID 71695685

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccc(OC)nc2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C27H32N4O4/c1-4-21(18-9-7-6-8-10-18)29-26(32)20-15-23(31-13-14-35-17-24(20)31)27(33)30-22(5-2)19-11-12-25(34-3)28-16-19/h6-12,15-16,21-22H,4-5,13-14,17H2,1-3H3,(H,29,32)(H,30,33)/t21-,22-/m1/s1
InChIKeyHKEPMSLDUUTCJS-FGZHOGPDSA-N
MW476.58 g/mol
LogP4.18
Rot. Bonds9

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

6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 71695685) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

Compound Name6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID71695685
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccc(OC)nc2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C27H32N4O4/c1-4-21(18-9-7-6-8-10-18)29-26(32)20-15-23(31-13-14-35-17-24(20)31)27(33)30-22(5-2)19-11-12-25(34-3)28-16-19/h6-12,15-16,21-22H,4-5,13-14,17H2,1-3H3,(H,29,32)(H,30,33)/t21-,22-/m1/s1
InChIKeyHKEPMSLDUUTCJS-FGZHOGPDSA-N
XLogP4.18
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The IUPAC name of 6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 71695685) is 6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.
What is the SMILES notation for 6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The canonical SMILES for 6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccc(OC)nc2)n2c1COCC2)c1ccccc1.
What is the InChIKey of 6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The InChIKey is HKEPMSLDUUTCJS-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-4-21(18-9-7-6-8-10-18)29-26(32)20-15-23(31-13-14-35-17-24(20)31)27(33)30-22(5-2)19-11-12-25(34-3)28-16-19/h6-12,15-16,21-22H,4-5,13-14,17H2,1-3H3,(H,29,32)(H,30,33)/t21-,22-/m1/s1.
What are the key properties of 6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 71695685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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