N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

C23H26F4N4O3 — CID 71696326

IUPACN-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-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)c1cnc(C(F)(F)F)c(F)c1
InChIInChI=1S/C23H26F4N4O3/c1-3-17(14-9-16(24)20(28-11-14)23(25,26)27)29-21(32)15-10-18(31-7-8-34-12-19(15)31)22(33)30-6-4-5-13(30)2/h9-11,13,17H,3-8,12H2,1-2H3,(H,29,32)/t13-,17+/m0/s1
InChIKeyJYMKFVYUKQOLMR-SUMWQHHRSA-N
MW482.48 g/mol
LogP4.08
Rot. Bonds5

About N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide

N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 71696326) has the molecular formula C23H26F4N4O3 and a molecular weight of 482.48 g/mol. Its IUPAC name is N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID71696326
Molecular FormulaC23H26F4N4O3
Molecular Weight482.48 g/mol
Exact Mass482.19
IUPAC NameN-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-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)c1cnc(C(F)(F)F)c(F)c1
InChIInChI=1S/C23H26F4N4O3/c1-3-17(14-9-16(24)20(28-11-14)23(25,26)27)29-21(32)15-10-18(31-7-8-34-12-19(15)31)22(33)30-6-4-5-13(30)2/h9-11,13,17H,3-8,12H2,1-2H3,(H,29,32)/t13-,17+/m0/s1
InChIKeyJYMKFVYUKQOLMR-SUMWQHHRSA-N
XLogP4.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The IUPAC name of N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (CID 71696326) is N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-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)c1cnc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is JYMKFVYUKQOLMR-SUMWQHHRSA-N. The full InChI is InChI=1S/C23H26F4N4O3/c1-3-17(14-9-16(24)20(28-11-14)23(25,26)27)29-21(32)15-10-18(31-7-8-34-12-19(15)31)22(33)30-6-4-5-13(30)2/h9-11,13,17H,3-8,12H2,1-2H3,(H,29,32)/t13-,17+/m0/s1.
What are the key properties of N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 482.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 71696326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).