methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine

C52H64N10O11 — CID 165087922

IUPACmethane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine
SMILESC.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2C(c3ccncc3)CC[C@@H]2C)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.C[C@H]1CCC(c2ccncc2)N1
InChIInChI=1S/C25H27N5O5.C15H15N3O6.C10H14N2.2CH4/c1-15-3-6-20(16-8-11-27-12-9-16)30(15)21(31)14-29-22(32)25(35-24(29)34)10-7-17-13-18(4-5-19(17)25)28-23(33)26-2;1-16-13(22)17-9-2-3-10-8(6-9)4-5-15(10)12(21)18(7-11(19)20)14(23)24-15;1-8-2-3-10(12-8)9-4-6-11-7-5-9;;/h4-5,8-9,11-13,15,20H,3,6-7,10,14H2,1-2H3,(H2,26,28,33);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);4-8,10,12H,2-3H2,1H3;2*1H4/t15-,20?,25+;15-;8-,10?;;/m010../s1
InChIKeyWFBAEKYHJSCEDH-PZGYSUSTSA-N
MW1005.14 g/mol
LogP6.51
Rot. Bonds8

About methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine

methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine (PubChem CID 165087922) has the molecular formula C52H64N10O11 and a molecular weight of 1005.14 g/mol. Its IUPAC name is methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Namemethane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine
PubChem CID165087922
Molecular FormulaC52H64N10O11
Molecular Weight1005.14 g/mol
Exact Mass1004.48
IUPAC Namemethane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine
SMILESC.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2C(c3ccncc3)CC[C@@H]2C)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.C[C@H]1CCC(c2ccncc2)N1
InChIInChI=1S/C25H27N5O5.C15H15N3O6.C10H14N2.2CH4/c1-15-3-6-20(16-8-11-27-12-9-16)30(15)21(31)14-29-22(32)25(35-24(29)34)10-7-17-13-18(4-5-19(17)25)28-23(33)26-2;1-16-13(22)17-9-2-3-10-8(6-9)4-5-15(10)12(21)18(7-11(19)20)14(23)24-15;1-8-2-3-10(12-8)9-4-6-11-7-5-9;;/h4-5,8-9,11-13,15,20H,3,6-7,10,14H2,1-2H3,(H2,26,28,33);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);4-8,10,12H,2-3H2,1H3;2*1H4/t15-,20?,25+;15-;8-,10?;;/m010../s1
InChIKeyWFBAEKYHJSCEDH-PZGYSUSTSA-N
XLogP6.51
TPSA270.90 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001005.14
LogP ≤ 56.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine (CID 165087922) is methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine is C.C.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2C(c3ccncc3)CC[C@@H]2C)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.C[C@H]1CCC(c2ccncc2)N1.
What is the InChIKey of methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine?
The InChIKey is WFBAEKYHJSCEDH-PZGYSUSTSA-N. The full InChI is InChI=1S/C25H27N5O5.C15H15N3O6.C10H14N2.2CH4/c1-15-3-6-20(16-8-11-27-12-9-16)30(15)21(31)14-29-22(32)25(35-24(29)34)10-7-17-13-18(4-5-19(17)25)28-23(33)26-2;1-16-13(22)17-9-2-3-10-8(6-9)4-5-15(10)12(21)18(7-11(19)20)14(23)24-15;1-8-2-3-10(12-8)9-4-6-11-7-5-9;;/h4-5,8-9,11-13,15,20H,3,6-7,10,14H2,1-2H3,(H2,26,28,33);2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,22);4-8,10,12H,2-3H2,1H3;2*1H4/t15-,20?,25+;15-;8-,10?;;/m010../s1.
What are the key properties of methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine?
methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine has a molecular weight of 1005.14 g/mol, XLogP of 6.51, 8 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;1-methyl-3-[(5R)-3-[2-[(2S)-2-methyl-5-pyridin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea;4-[(5S)-5-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 165087922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).