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

C23H27F3N4O3 — CID 126514439

IUPAC6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)NC(C)C2CC2)n2c1COCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H27F3N4O3/c1-3-17(15-6-7-20(27-11-15)23(24,25)26)29-21(31)16-10-18(30-8-9-33-12-19(16)30)22(32)28-13(2)14-4-5-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,28,32)(H,29,31)/t13?,17-/m1/s1
InChIKeyMAFFWMKJADFDOL-LRHAYUFXSA-N
MW464.49 g/mol
LogP3.84
Rot. Bonds7

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

6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 126514439) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.

Molecular Properties

Compound Name6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID126514439
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC Name6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)NC(C)C2CC2)n2c1COCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H27F3N4O3/c1-3-17(15-6-7-20(27-11-15)23(24,25)26)29-21(31)16-10-18(30-8-9-33-12-19(16)30)22(32)28-13(2)14-4-5-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,28,32)(H,29,31)/t13?,17-/m1/s1
InChIKeyMAFFWMKJADFDOL-LRHAYUFXSA-N
XLogP3.84
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The IUPAC name of 6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 126514439) is 6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide.
What is the SMILES notation for 6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The canonical SMILES for 6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is CC[C@@H](NC(=O)c1cc(C(=O)NC(C)C2CC2)n2c1COCC2)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
The InChIKey is MAFFWMKJADFDOL-LRHAYUFXSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-3-17(15-6-7-20(27-11-15)23(24,25)26)29-21(31)16-10-18(30-8-9-33-12-19(16)30)22(32)28-13(2)14-4-5-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,28,32)(H,29,31)/t13?,17-/m1/s1.
What are the key properties of 6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide has a molecular weight of 464.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-cyclopropylethyl)-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide is sourced from PubChem (CID 126514439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).