6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

C23H27F3N4O3 — CID 71696128

IUPAC6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H27F3N4O3/c1-3-17(15-6-7-20(27-12-15)23(24,25)26)28-21(31)16-11-18(30-9-10-33-13-19(16)30)22(32)29-8-4-5-14(29)2/h6-7,11-12,14,17H,3-5,8-10,13H2,1-2H3,(H,28,31)/t14-,17+/m0/s1
InChIKeyOEGNOLHLTZVBSU-WMLDXEAASA-N
MW464.49 g/mol
LogP3.94
Rot. Bonds5

About 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 71696128) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

Compound Name6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID71696128
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC Name6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H27F3N4O3/c1-3-17(15-6-7-20(27-12-15)23(24,25)26)28-21(31)16-11-18(30-9-10-33-13-19(16)30)22(32)29-8-4-5-14(29)2/h6-7,11-12,14,17H,3-5,8-10,13H2,1-2H3,(H,28,31)/t14-,17+/m0/s1
InChIKeyOEGNOLHLTZVBSU-WMLDXEAASA-N
XLogP3.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide 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-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The IUPAC name of 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (CID 71696128) is 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.
What is the SMILES notation for 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The canonical SMILES for 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is OEGNOLHLTZVBSU-WMLDXEAASA-N. The full InChI is InChI=1S/C23H27F3N4O3/c1-3-17(15-6-7-20(27-12-15)23(24,25)26)28-21(31)16-11-18(30-9-10-33-13-19(16)30)22(32)29-8-4-5-14(29)2/h6-7,11-12,14,17H,3-5,8-10,13H2,1-2H3,(H,28,31)/t14-,17+/m0/s1.
What are the key properties of 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 71696128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).