methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate

C26H27N3O6 — CID 171887266

IUPACmethyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C26H27N3O6/c1-34-25(32)15-12-20(24(27)29-13-15)23(31)22(30)10-11-28-26(33)35-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-9,12-13,21-23,30-31H,10-11,14H2,1H3,(H2,27,29)(H,28,33)
InChIKeyPLFNCXQYUVKDKA-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.77
Rot. Bonds8

About methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate

methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate (PubChem CID 171887266) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate
PubChem CID171887266
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Namemethyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C26H27N3O6/c1-34-25(32)15-12-20(24(27)29-13-15)23(31)22(30)10-11-28-26(33)35-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-9,12-13,21-23,30-31H,10-11,14H2,1H3,(H2,27,29)(H,28,33)
InChIKeyPLFNCXQYUVKDKA-UHFFFAOYSA-N
XLogP2.77
TPSA144.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(3-amino-6-chloropyridazin-4-yl)-3,4-dihydroxybutyl]carbamate
CID 171886431
methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyrimidine-2-carboxylate
CID 171887008
methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
CID 171885474
methyl 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2,6-difluorobenzoate
CID 171887497
9H-fluoren-9-ylmethyl N-[4-(4-amino-2,5-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886687
9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171886627
9H-fluoren-9-ylmethyl N-[4-(2-ethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886565
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886928
9H-fluoren-9-ylmethyl N-[4-(2-cyano-5-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886696
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]terephthalic acid
CID 171887483
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2,4,5-trifluorophenyl)butyl]carbamate
CID 171886450
9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate (CID 171887266) is methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate is COC(=O)c1cnc(N)c(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate?
The InChIKey is PLFNCXQYUVKDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-34-25(32)15-12-20(24(27)29-13-15)23(31)22(30)10-11-28-26(33)35-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-9,12-13,21-23,30-31H,10-11,14H2,1H3,(H2,27,29)(H,28,33).
What are the key properties of methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate?
methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate has a molecular weight of 477.52 g/mol, XLogP of 2.77, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate is sourced from PubChem (CID 171887266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).