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

C24H29F3N4O3 — CID 71696195

IUPAC6-[(2S)-2-ethylpyrrolidine-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]1CCCN1C(=O)c1cc(C(=O)N[C@H](CC)c2ccc(C(F)(F)F)nc2)c2n1CCOC2
InChIInChI=1S/C24H29F3N4O3/c1-3-16-6-5-9-30(16)23(33)19-12-17(20-14-34-11-10-31(19)20)22(32)29-18(4-2)15-7-8-21(28-13-15)24(25,26)27/h7-8,12-13,16,18H,3-6,9-11,14H2,1-2H3,(H,29,32)/t16-,18+/m0/s1
InChIKeyHXHMFOMJESPNHZ-FUHWJXTLSA-N
MW478.52 g/mol
LogP4.33
Rot. Bonds6

About 6-[(2S)-2-ethylpyrrolidine-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-ethylpyrrolidine-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 71696195) has the molecular formula C24H29F3N4O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is 6-[(2S)-2-ethylpyrrolidine-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-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID71696195
Molecular FormulaC24H29F3N4O3
Molecular Weight478.52 g/mol
Exact Mass478.22
IUPAC Name6-[(2S)-2-ethylpyrrolidine-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]1CCCN1C(=O)c1cc(C(=O)N[C@H](CC)c2ccc(C(F)(F)F)nc2)c2n1CCOC2
InChIInChI=1S/C24H29F3N4O3/c1-3-16-6-5-9-30(16)23(33)19-12-17(20-14-34-11-10-31(19)20)22(32)29-18(4-2)15-7-8-21(28-13-15)24(25,26)27/h7-8,12-13,16,18H,3-6,9-11,14H2,1-2H3,(H,29,32)/t16-,18+/m0/s1
InChIKeyHXHMFOMJESPNHZ-FUHWJXTLSA-N
XLogP4.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-ethylpyrrolidine-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-ethylpyrrolidine-1-carbonyl]-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (CID 71696195) is 6-[(2S)-2-ethylpyrrolidine-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-ethylpyrrolidine-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-ethylpyrrolidine-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]1CCCN1C(=O)c1cc(C(=O)N[C@H](CC)c2ccc(C(F)(F)F)nc2)c2n1CCOC2.
What is the InChIKey of 6-[(2S)-2-ethylpyrrolidine-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 HXHMFOMJESPNHZ-FUHWJXTLSA-N. The full InChI is InChI=1S/C24H29F3N4O3/c1-3-16-6-5-9-30(16)23(33)19-12-17(20-14-34-11-10-31(19)20)22(32)29-18(4-2)15-7-8-21(28-13-15)24(25,26)27/h7-8,12-13,16,18H,3-6,9-11,14H2,1-2H3,(H,29,32)/t16-,18+/m0/s1.
What are the key properties of 6-[(2S)-2-ethylpyrrolidine-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-ethylpyrrolidine-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 478.52 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-ethylpyrrolidine-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 71696195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).