1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane

C56H90N12O17 — CID 158544987

IUPAC1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane
SMILESC.C.C.CCC(=O)C(CCN(CCCCN(CCCNCc1ccc(C(=O)NCCOC)c(=O)n1O)Cc1ccc(C(=O)NCCOC)c(=O)n1O)Cc1ccc(C(=O)NCCOC)c(=O)n1O)NCc1ccc(C(=O)NCCOC)c(=O)n1O
InChIInChI=1S/C53H78N12O17.3CH4/c1-6-45(66)44(59-33-37-11-15-41(51(72)63(37)76)47(68)56-21-29-80-3)18-27-61(35-39-13-17-43(53(74)65(39)78)49(70)58-23-31-82-5)25-8-7-24-60(34-38-12-16-42(52(73)64(38)77)48(69)57-22-30-81-4)26-9-19-54-32-36-10-14-40(50(71)62(36)75)46(67)55-20-28-79-2;;;/h10-17,44,54,59,75-78H,6-9,18-35H2,1-5H3,(H,55,67)(H,56,68)(H,57,69)(H,58,70);3*1H4
InChIKeyHOZPUKIDRSOXBR-UHFFFAOYSA-N
MW1203.40 g/mol
LogP0.49
Rot. Bonds39

About 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane

1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane (PubChem CID 158544987) has the molecular formula C56H90N12O17 and a molecular weight of 1203.40 g/mol. Its IUPAC name is 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane.

Molecular Properties

Compound Name1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane
PubChem CID158544987
Molecular FormulaC56H90N12O17
Molecular Weight1203.40 g/mol
Exact Mass1202.65
IUPAC Name1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane
SMILESC.C.C.CCC(=O)C(CCN(CCCCN(CCCNCc1ccc(C(=O)NCCOC)c(=O)n1O)Cc1ccc(C(=O)NCCOC)c(=O)n1O)Cc1ccc(C(=O)NCCOC)c(=O)n1O)NCc1ccc(C(=O)NCCOC)c(=O)n1O
InChIInChI=1S/C53H78N12O17.3CH4/c1-6-45(66)44(59-33-37-11-15-41(51(72)63(37)76)47(68)56-21-29-80-3)18-27-61(35-39-13-17-43(53(74)65(39)78)49(70)58-23-31-82-5)25-8-7-24-60(34-38-12-16-42(52(73)64(38)77)48(69)57-22-30-81-4)26-9-19-54-32-36-10-14-40(50(71)62(36)75)46(67)55-20-28-79-2;;;/h10-17,44,54,59,75-78H,6-9,18-35H2,1-5H3,(H,55,67)(H,56,68)(H,57,69)(H,58,70);3*1H4
InChIKeyHOZPUKIDRSOXBR-UHFFFAOYSA-N
XLogP0.49
TPSA369.85 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.40
LogP ≤ 50.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane?
The IUPAC name of 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane (CID 158544987) is 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane.
What is the SMILES notation for 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane?
The canonical SMILES for 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane is C.C.C.CCC(=O)C(CCN(CCCCN(CCCNCc1ccc(C(=O)NCCOC)c(=O)n1O)Cc1ccc(C(=O)NCCOC)c(=O)n1O)Cc1ccc(C(=O)NCCOC)c(=O)n1O)NCc1ccc(C(=O)NCCOC)c(=O)n1O.
What is the InChIKey of 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane?
The InChIKey is HOZPUKIDRSOXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H78N12O17.3CH4/c1-6-45(66)44(59-33-37-11-15-41(51(72)63(37)76)47(68)56-21-29-80-3)18-27-61(35-39-13-17-43(53(74)65(39)78)49(70)58-23-31-82-5)25-8-7-24-60(34-38-12-16-42(52(73)64(38)77)48(69)57-22-30-81-4)26-9-19-54-32-36-10-14-40(50(71)62(36)75)46(67)55-20-28-79-2;;;/h10-17,44,54,59,75-78H,6-9,18-35H2,1-5H3,(H,55,67)(H,56,68)(H,57,69)(H,58,70);3*1H4.
What are the key properties of 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane?
1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane has a molecular weight of 1203.40 g/mol, XLogP of 0.49, 39 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide;methane is sourced from PubChem (CID 158544987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).