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

C27H29F3N4O3 — CID 71695882

IUPAC8-N-[(1R)-1-phenylpropyl]-6-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)N[C@H](CC)c2ccc(C(F)(F)F)nc2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C27H29F3N4O3/c1-3-20(17-8-6-5-7-9-17)32-25(35)19-14-22(34-12-13-37-16-23(19)34)26(36)33-21(4-2)18-10-11-24(31-15-18)27(28,29)30/h5-11,14-15,20-21H,3-4,12-13,16H2,1-2H3,(H,32,35)(H,33,36)/t20-,21-/m1/s1
InChIKeyCAPWGZJSFQUNIE-NHCUHLMSSA-N
MW514.55 g/mol
LogP5.19
Rot. Bonds8

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

8-N-[(1R)-1-phenylpropyl]-6-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (PubChem CID 71695882) has the molecular formula C27H29F3N4O3 and a molecular weight of 514.55 g/mol. Its IUPAC name is 8-N-[(1R)-1-phenylpropyl]-6-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 Name8-N-[(1R)-1-phenylpropyl]-6-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
PubChem CID71695882
Molecular FormulaC27H29F3N4O3
Molecular Weight514.55 g/mol
Exact Mass514.22
IUPAC Name8-N-[(1R)-1-phenylpropyl]-6-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)N[C@H](CC)c2ccc(C(F)(F)F)nc2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C27H29F3N4O3/c1-3-20(17-8-6-5-7-9-17)32-25(35)19-14-22(34-12-13-37-16-23(19)34)26(36)33-21(4-2)18-10-11-24(31-15-18)27(28,29)30/h5-11,14-15,20-21H,3-4,12-13,16H2,1-2H3,(H,32,35)(H,33,36)/t20-,21-/m1/s1
InChIKeyCAPWGZJSFQUNIE-NHCUHLMSSA-N
XLogP5.19
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.55
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-1H,3H,4H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696125
6-[(benzyloxy)methyl]-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190886
(6R)-6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 16202187
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[6-(3,3,3-trifluoropropoxy)pyridin-3-yl]methyl]-1H-isoindole-1-carboxamide
CID 44552634
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]-1H-isoindole-1-carboxamide
CID 44555196
ethyl 3,5-dimethyl-4-((pyridin-2-ylmethyl)carbamoyl)-1H-pyrrole-2-carboxylate
CID 3236702
ethyl 1,3,5-trimethyl-4-{[(pyridin-3-ylmethyl)amino]carbonyl}-1H-pyrrole-2-carboxylate
CID 3242268
N-[2-[3,6-difluoro-2-(5-methylpyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71451085
N-[[6-(difluoromethoxy)pyridin-3-yl]methyl]-3-oxo-2-(2-pyridin-2-ylethyl)-1H-isoindole-1-carboxamide
CID 44552811
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-5-(3-(4-fluorobenzyloxy) azetidine-1-carbonyl)picolinamide
CID 66710575
N-(4-morpholin-2-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67239273
N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67239559

Frequently Asked Questions

What is the IUPAC name of 8-N-[(1R)-1-phenylpropyl]-6-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 8-N-[(1R)-1-phenylpropyl]-6-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide (CID 71695882) is 8-N-[(1R)-1-phenylpropyl]-6-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 8-N-[(1R)-1-phenylpropyl]-6-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 8-N-[(1R)-1-phenylpropyl]-6-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)N[C@H](CC)c2ccc(C(F)(F)F)nc2)n2c1COCC2)c1ccccc1.
What is the InChIKey of 8-N-[(1R)-1-phenylpropyl]-6-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 CAPWGZJSFQUNIE-NHCUHLMSSA-N. The full InChI is InChI=1S/C27H29F3N4O3/c1-3-20(17-8-6-5-7-9-17)32-25(35)19-14-22(34-12-13-37-16-23(19)34)26(36)33-21(4-2)18-10-11-24(31-15-18)27(28,29)30/h5-11,14-15,20-21H,3-4,12-13,16H2,1-2H3,(H,32,35)(H,33,36)/t20-,21-/m1/s1.
What are the key properties of 8-N-[(1R)-1-phenylpropyl]-6-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide?
8-N-[(1R)-1-phenylpropyl]-6-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 514.55 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(1R)-1-phenylpropyl]-6-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 71695882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).