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

C24H29F3N4O4 — CID 126514608

IUPACN-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(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)N2CCCC2C)n2c1COCC2)c1cnc(C(F)(F)F)c(OC)c1
InChIInChI=1S/C24H29F3N4O4/c1-4-17(15-10-20(34-3)21(28-12-15)24(25,26)27)29-22(32)16-11-18(31-8-9-35-13-19(16)31)23(33)30-7-5-6-14(30)2/h10-12,14,17H,4-9,13H2,1-3H3,(H,29,32)/t14?,17-/m1/s1
InChIKeyRVCXOCAPGGZWQE-FBMWCMRBSA-N
MW494.51 g/mol
LogP3.95
Rot. Bonds6

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

N-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 126514608) has the molecular formula C24H29F3N4O4 and a molecular weight of 494.51 g/mol. Its IUPAC name is N-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID126514608
Molecular FormulaC24H29F3N4O4
Molecular Weight494.51 g/mol
Exact Mass494.21
IUPAC NameN-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(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)N2CCCC2C)n2c1COCC2)c1cnc(C(F)(F)F)c(OC)c1
InChIInChI=1S/C24H29F3N4O4/c1-4-17(15-10-20(34-3)21(28-12-15)24(25,26)27)29-22(32)16-11-18(31-8-9-35-13-19(16)31)23(33)30-7-5-6-14(30)2/h10-12,14,17H,4-9,13H2,1-3H3,(H,29,32)/t14?,17-/m1/s1
InChIKeyRVCXOCAPGGZWQE-FBMWCMRBSA-N
XLogP3.95
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(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-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(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-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide (CID 126514608) is N-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(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-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(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-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(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)N2CCCC2C)n2c1COCC2)c1cnc(C(F)(F)F)c(OC)c1.
What is the InChIKey of N-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is RVCXOCAPGGZWQE-FBMWCMRBSA-N. The full InChI is InChI=1S/C24H29F3N4O4/c1-4-17(15-10-20(34-3)21(28-12-15)24(25,26)27)29-22(32)16-11-18(31-8-9-35-13-19(16)31)23(33)30-7-5-6-14(30)2/h10-12,14,17H,4-9,13H2,1-3H3,(H,29,32)/t14?,17-/m1/s1.
What are the key properties of N-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide?
N-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 494.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]propyl]-6-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 126514608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).