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

C23H25N5O3 — CID 71695683

IUPAC8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)NCc2cnccn2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C23H25N5O3/c1-2-19(16-6-4-3-5-7-16)27-22(29)18-12-20(28-10-11-31-15-21(18)28)23(30)26-14-17-13-24-8-9-25-17/h3-9,12-13,19H,2,10-11,14-15H2,1H3,(H,26,30)(H,27,29)/t19-/m1/s1
InChIKeyMMFXNOOHGYIWRB-LJQANCHMSA-N
MW419.49 g/mol
LogP2.62
Rot. Bonds7

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

8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 71695683) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID71695683
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)NCc2cnccn2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C23H25N5O3/c1-2-19(16-6-4-3-5-7-16)27-22(29)18-12-20(28-10-11-31-15-21(18)28)23(30)26-14-17-13-24-8-9-25-17/h3-9,12-13,19H,2,10-11,14-15H2,1H3,(H,26,30)(H,27,29)/t19-/m1/s1
InChIKeyMMFXNOOHGYIWRB-LJQANCHMSA-N
XLogP2.62
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-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 8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The IUPAC name of 8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 71695683) is 8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.
What is the SMILES notation for 8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The canonical SMILES for 8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is CC[C@@H](NC(=O)c1cc(C(=O)NCc2cnccn2)n2c1COCC2)c1ccccc1.
What is the InChIKey of 8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The InChIKey is MMFXNOOHGYIWRB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-2-19(16-6-4-3-5-7-16)27-22(29)18-12-20(28-10-11-31-15-21(18)28)23(30)26-14-17-13-24-8-9-25-17/h3-9,12-13,19H,2,10-11,14-15H2,1H3,(H,26,30)(H,27,29)/t19-/m1/s1.
What are the key properties of 8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 71695683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).