methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate

C26H37FN4O8 — CID 178006767

IUPACmethyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN(CCO)CCOCCOCCN(CCO)Cc2cc(F)cc(C(=O)OC)n2)n1
InChIInChI=1S/C26H37FN4O8/c1-36-25(34)23-5-3-4-21(28-23)18-30(6-10-32)8-12-38-14-15-39-13-9-31(7-11-33)19-22-16-20(27)17-24(29-22)26(35)37-2/h3-5,16-17,32-33H,6-15,18-19H2,1-2H3
InChIKeyNPPWRSXINBJLKK-UHFFFAOYSA-N
MW552.60 g/mol
LogP0.51
Rot. Bonds19

About methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate

methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate (PubChem CID 178006767) has the molecular formula C26H37FN4O8 and a molecular weight of 552.60 g/mol. Its IUPAC name is methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate
PubChem CID178006767
Molecular FormulaC26H37FN4O8
Molecular Weight552.60 g/mol
Exact Mass552.26
IUPAC Namemethyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN(CCO)CCOCCOCCN(CCO)Cc2cc(F)cc(C(=O)OC)n2)n1
InChIInChI=1S/C26H37FN4O8/c1-36-25(34)23-5-3-4-21(28-23)18-30(6-10-32)8-12-38-14-15-39-13-9-31(7-11-33)19-22-16-20(27)17-24(29-22)26(35)37-2/h3-5,16-17,32-33H,6-15,18-19H2,1-2H3
InChIKeyNPPWRSXINBJLKK-UHFFFAOYSA-N
XLogP0.51
TPSA143.78 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.60
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

Dibutyl pyridine-2,6-dicarboxylate
CID 96561
6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421
Dipentyl pyridine-2,6-dicarboxylate
CID 1725701
Dimethyl 2,2'-Bipyridine-6,6'-dicarboxylate
CID 11477388
Bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 4022613
6-[[Carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 101447146
6-[[[(1R)-1-carboxyethyl]-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164617954
6-[[[(1S)-1-carboxyethyl]-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164628260
8,10-Dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo(15.3.1)heneicosa-1(21),17,19-triene-2,16-dione
CID 326427
Methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate
CID 46394503
2-Fluoroethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
CID 71987835

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate (CID 178006767) is methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN(CCO)CCOCCOCCN(CCO)Cc2cc(F)cc(C(=O)OC)n2)n1.
What is the InChIKey of methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate?
The InChIKey is NPPWRSXINBJLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN4O8/c1-36-25(34)23-5-3-4-21(28-23)18-30(6-10-32)8-12-38-14-15-39-13-9-31(7-11-33)19-22-16-20(27)17-24(29-22)26(35)37-2/h3-5,16-17,32-33H,6-15,18-19H2,1-2H3.
What are the key properties of methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate?
methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate has a molecular weight of 552.60 g/mol, XLogP of 0.51, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 178006767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).