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

C23H24F6N4O3 — CID 71696257

IUPACN-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-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(F)(F)F)n2c1COCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H24F6N4O3/c1-2-15(13-5-6-18(30-11-13)22(24,25)26)31-20(34)14-10-16(32-8-9-36-12-17(14)32)21(35)33-7-3-4-19(33)23(27,28)29/h5-6,10-11,15,19H,2-4,7-9,12H2,1H3,(H,31,34)/t15-,19-/m1/s1
InChIKeyOOTYVFPUEZJGJY-DNVCBOLYSA-N
MW518.46 g/mol
LogP4.48
Rot. Bonds5

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

N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 71696257) has the molecular formula C23H24F6N4O3 and a molecular weight of 518.46 g/mol. Its IUPAC name is N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID71696257
Molecular FormulaC23H24F6N4O3
Molecular Weight518.46 g/mol
Exact Mass518.18
IUPAC NameN-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-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(F)(F)F)n2c1COCC2)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H24F6N4O3/c1-2-15(13-5-6-18(30-11-13)22(24,25)26)31-20(34)14-10-16(32-8-9-36-12-17(14)32)21(35)33-7-3-4-19(33)23(27,28)29/h5-6,10-11,15,19H,2-4,7-9,12H2,1H3,(H,31,34)/t15-,19-/m1/s1
InChIKeyOOTYVFPUEZJGJY-DNVCBOLYSA-N
XLogP4.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The IUPAC name of N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (CID 71696257) is N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The canonical SMILES for N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-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(F)(F)F)n2c1COCC2)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is OOTYVFPUEZJGJY-DNVCBOLYSA-N. The full InChI is InChI=1S/C23H24F6N4O3/c1-2-15(13-5-6-18(30-11-13)22(24,25)26)31-20(34)14-10-16(32-8-9-36-12-17(14)32)21(35)33-7-3-4-19(33)23(27,28)29/h5-6,10-11,15,19H,2-4,7-9,12H2,1H3,(H,31,34)/t15-,19-/m1/s1.
What are the key properties of N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 518.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-[(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 71696257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).