5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide

C63H68N10O11S2 — CID 158353512

IUPAC5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide
SMILESCC(C)n1ccc(S(N)(=O)=O)cc1=O.COc1cc(-c2ccc3c(c2N)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)c(=O)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2OC#N)CCC3)ccn1
InChIInChI=1S/C24H26N4O5S.C16H14N2O2.C15H16N2O.C8H12N2O3S/c1-15(2)28-12-10-18(14-22(28)29)34(31,32)27-24(30)26-23-19-6-4-5-16(19)7-8-20(23)17-9-11-25-21(13-17)33-3;1-19-15-9-12(7-8-18-15)14-6-5-11-3-2-4-13(11)16(14)20-10-17;1-18-14-9-11(7-8-17-14)13-6-5-10-3-2-4-12(10)15(13)16;1-6(2)10-4-3-7(5-8(10)11)14(9,12)13/h7-15H,4-6H2,1-3H3,(H2,26,27,30);5-9H,2-4H2,1H3;5-9H,2-4,16H2,1H3;3-6H,1-2H3,(H2,9,12,13)
InChIKeyGSPIXHAPGZXJPM-UHFFFAOYSA-N
MW1205.43 g/mol
LogP9.51
Rot. Bonds13

About 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide

5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide (PubChem CID 158353512) has the molecular formula C63H68N10O11S2 and a molecular weight of 1205.43 g/mol. Its IUPAC name is 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide.

Molecular Properties

Compound Name5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide
PubChem CID158353512
Molecular FormulaC63H68N10O11S2
Molecular Weight1205.43 g/mol
Exact Mass1204.45
IUPAC Name5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide
SMILESCC(C)n1ccc(S(N)(=O)=O)cc1=O.COc1cc(-c2ccc3c(c2N)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)c(=O)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2OC#N)CCC3)ccn1
InChIInChI=1S/C24H26N4O5S.C16H14N2O2.C15H16N2O.C8H12N2O3S/c1-15(2)28-12-10-18(14-22(28)29)34(31,32)27-24(30)26-23-19-6-4-5-16(19)7-8-20(23)17-9-11-25-21(13-17)33-3;1-19-15-9-12(7-8-18-15)14-6-5-11-3-2-4-13(11)16(14)20-10-17;1-18-14-9-11(7-8-17-14)13-6-5-10-3-2-4-12(10)15(13)16;1-6(2)10-4-3-7(5-8(10)11)14(9,12)13/h7-15H,4-6H2,1-3H3,(H2,26,27,30);5-9H,2-4H2,1H3;5-9H,2-4,16H2,1H3;3-6H,1-2H3,(H2,9,12,13)
InChIKeyGSPIXHAPGZXJPM-UHFFFAOYSA-N
XLogP9.51
TPSA304.83 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001205.43
LogP ≤ 59.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide?
The IUPAC name of 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide (CID 158353512) is 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide.
What is the SMILES notation for 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide?
The canonical SMILES for 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide is CC(C)n1ccc(S(N)(=O)=O)cc1=O.COc1cc(-c2ccc3c(c2N)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)c(=O)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2OC#N)CCC3)ccn1.
What is the InChIKey of 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide?
The InChIKey is GSPIXHAPGZXJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S.C16H14N2O2.C15H16N2O.C8H12N2O3S/c1-15(2)28-12-10-18(14-22(28)29)34(31,32)27-24(30)26-23-19-6-4-5-16(19)7-8-20(23)17-9-11-25-21(13-17)33-3;1-19-15-9-12(7-8-18-15)14-6-5-11-3-2-4-13(11)16(14)20-10-17;1-18-14-9-11(7-8-17-14)13-6-5-10-3-2-4-12(10)15(13)16;1-6(2)10-4-3-7(5-8(10)11)14(9,12)13/h7-15H,4-6H2,1-3H3,(H2,26,27,30);5-9H,2-4H2,1H3;5-9H,2-4,16H2,1H3;3-6H,1-2H3,(H2,9,12,13).
What are the key properties of 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide?
5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide has a molecular weight of 1205.43 g/mol, XLogP of 9.51, 13 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine;[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-oxo-1-propan-2-yl-4-pyridinyl)sulfonyl]urea;2-oxo-1-propan-2-ylpyridine-4-sulfonamide is sourced from PubChem (CID 158353512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).