9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate

C25H23N3O4 — CID 171886285

IUPAC9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
SMILESN#Cc1cncc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H23N3O4/c26-12-16-11-17(14-27-13-16)24(30)23(29)9-10-28-25(31)32-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,11,13-14,22-24,29-30H,9-10,15H2,(H,28,31)
InChIKeyRCZVBVUIUAPRFK-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.28
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171886285) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
PubChem CID171886285
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
SMILESN#Cc1cncc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H23N3O4/c26-12-16-11-17(14-27-13-16)24(30)23(29)9-10-28-25(31)32-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,11,13-14,22-24,29-30H,9-10,15H2,(H,28,31)
InChIKeyRCZVBVUIUAPRFK-UHFFFAOYSA-N
XLogP3.28
TPSA115.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(4-cyano-3,5-difluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171887054
9H-fluoren-9-ylmethyl N-[4-(6-cyano-5-nitro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171887356
9H-fluoren-9-ylmethyl N-[4-(5,6-dichloro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886378
9H-fluoren-9-ylmethyl N-[4-(3-chloro-4-cyanophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886661
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
CID 171886819
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyrimidine-2-carboxylate
CID 171887008
9H-fluoren-9-ylmethyl N-[4-(3,5-dichloro-4-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886457
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886928

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate (CID 171886285) is 9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate is N#Cc1cncc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is RCZVBVUIUAPRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c26-12-16-11-17(14-27-13-16)24(30)23(29)9-10-28-25(31)32-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,11,13-14,22-24,29-30H,9-10,15H2,(H,28,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 429.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(5-cyano-3-pyridinyl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171886285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).