9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate

C24H23N3O5 — CID 170834171

IUPAC9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESNC(=O)c1cncc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C24H23N3O5/c25-23(30)15-9-14(10-26-11-15)22(29)21(28)12-27-24(31)32-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-11,20-22,28-29H,12-13H2,(H2,25,30)(H,27,31)
InChIKeyMJRBJKWKSIFLFJ-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.11
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170834171) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170834171
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESNC(=O)c1cncc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C24H23N3O5/c25-23(30)15-9-14(10-26-11-15)22(29)21(28)12-27-24(31)32-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-11,20-22,28-29H,12-13H2,(H2,25,30)(H,27,31)
InChIKeyMJRBJKWKSIFLFJ-UHFFFAOYSA-N
XLogP2.11
TPSA134.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]pyridine-3-carboxylate
CID 170834625
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propyl]carbamate
CID 170835212
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3,4,5-trifluorophenyl)propyl]carbamate
CID 170834000
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834099
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate
CID 170834286
9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886285
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-iodophenyl)propyl]carbamate
CID 170835442
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate
CID 170834973
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833868
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170834146

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 170834171) is 9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate is NC(=O)c1cncc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is MJRBJKWKSIFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c25-23(30)15-9-14(10-26-11-15)22(29)21(28)12-27-24(31)32-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-11,20-22,28-29H,12-13H2,(H2,25,30)(H,27,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 433.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(5-carbamoyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).