N-[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 123421242

IUPACN-[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
SMILESCCC(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)
InChIKeyRVCXOCAPGGZWQE-UHFFFAOYSA-N
MW494.51 g/mol
LogP3.95
Rot. Bonds6

About N-[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-[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 123421242) has the molecular formula C24H29F3N4O4 and a molecular weight of 494.51 g/mol. Its IUPAC name is N-[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-[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 CID123421242
Molecular FormulaC24H29F3N4O4
Molecular Weight494.51 g/mol
Exact Mass494.21
IUPAC NameN-[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
SMILESCCC(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)
InChIKeyRVCXOCAPGGZWQE-UHFFFAOYSA-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

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Related Compounds

6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-1H,3H,4H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696125
2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 44467978
6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[5-(2-morpholin-4-ylethylcarbamoyl)-1-propan-2-ylpyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide
CID 127051741
US11339157, Example 8
CID 142566530
2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 72696908
6-[(E)-2-(4-methoxyphenyl)vinyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholinoethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide
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(S)-N-(1-(4-fluorobenzyl)piperidin-4-yl)-5-(3-(4-fluorophenoxy) pyrrolidine-1-carbonyl)picolinamide
CID 58073186
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CID 71042626
8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71695683
6-N-[(1R)-1-(6-methoxy-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71695685

Frequently Asked Questions

What is the IUPAC name of N-[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-[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 123421242) is N-[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-[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-[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 CCC(NC(=O)c1cc(C(=O)N2CCCC2C)n2c1COCC2)c1cnc(C(F)(F)F)c(OC)c1.
What is the InChIKey of N-[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-UHFFFAOYSA-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).
What are the key properties of N-[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-[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-[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 123421242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).