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

C24H29F3N4O3 — CID 71696454

IUPAC6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H29F3N4O3/c1-14(2)21(16-6-7-20(28-12-16)24(25,26)27)29-22(32)17-11-18(31-9-10-34-13-19(17)31)23(33)30-8-4-5-15(30)3/h6-7,11-12,14-15,21H,4-5,8-10,13H2,1-3H3,(H,29,32)/t15-,21+/m0/s1
InChIKeyOEFJSEGTIUEMNQ-YCRPNKLZSA-N
MW478.52 g/mol
LogP4.18
Rot. Bonds5

About 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-2-methyl-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)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 71696454) has the molecular formula C24H29F3N4O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-2-methyl-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)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID71696454
Molecular FormulaC24H29F3N4O3
Molecular Weight478.52 g/mol
Exact Mass478.22
IUPAC Name6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H29F3N4O3/c1-14(2)21(16-6-7-20(28-12-16)24(25,26)27)29-22(32)17-11-18(31-9-10-34-13-19(17)31)23(33)30-8-4-5-15(30)3/h6-7,11-12,14-15,21H,4-5,8-10,13H2,1-3H3,(H,29,32)/t15-,21+/m0/s1
InChIKeyOEFJSEGTIUEMNQ-YCRPNKLZSA-N
XLogP4.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-2-methyl-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)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (CID 71696454) is 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-2-methyl-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)-2-methyl-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)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is CC(C)[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)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is OEFJSEGTIUEMNQ-YCRPNKLZSA-N. The full InChI is InChI=1S/C24H29F3N4O3/c1-14(2)21(16-6-7-20(28-12-16)24(25,26)27)29-22(32)17-11-18(31-9-10-34-13-19(17)31)23(33)30-8-4-5-15(30)3/h6-7,11-12,14-15,21H,4-5,8-10,13H2,1-3H3,(H,29,32)/t15-,21+/m0/s1.
What are the key properties of 6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-2-methyl-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)-2-methyl-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 4.18, 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)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 71696454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).