9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate

C26H20N4O5 — CID 141307800

IUPAC9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate
SMILESCN(C(=O)OC1c2ccccc2-c2ccccc21)c1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1
InChIInChI=1S/C26H20N4O5/c1-29(16-10-12-17(13-11-16)34-22-14-15-28-25(27)23(22)30(32)33)26(31)35-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-15,24H,1H3,(H2,27,28)
InChIKeyJMFNTVLZOLIXQS-UHFFFAOYSA-N
MW468.47 g/mol
LogP5.71
Rot. Bonds5

About 9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate

9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate (PubChem CID 141307800) has the molecular formula C26H20N4O5 and a molecular weight of 468.47 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate
PubChem CID141307800
Molecular FormulaC26H20N4O5
Molecular Weight468.47 g/mol
Exact Mass468.14
IUPAC Name9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate
SMILESCN(C(=O)OC1c2ccccc2-c2ccccc21)c1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1
InChIInChI=1S/C26H20N4O5/c1-29(16-10-12-17(13-11-16)34-22-14-15-28-25(27)23(22)30(32)33)26(31)35-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-15,24H,1H3,(H2,27,28)
InChIKeyJMFNTVLZOLIXQS-UHFFFAOYSA-N
XLogP5.71
TPSA120.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.47
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane
CID 91101107
3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide
CID 59588847
4-[4-(aminomethyl)phenoxy]-3-nitropyridin-2-amine;4-chloro-3-nitropyridin-2-amine
CID 162140600
fluoro-[4-[[2-(methylamino)-3-nitro-4-pyridinyl]oxy]phenyl]carbamic acid
CID 87369559
4-(3-fluorophenoxy)-3-nitropyridin-2-amine
CID 141144009
9H-fluoren-9-yl N-amino-N-methylcarbamate
CID 100991208
tert-butyl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]carbamate
CID 155586353
ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane
CID 143215967
tert-butyl N-methylcarbamate;4-chloro-3-nitropyridin-2-amine;ethane;methanamine;bis(3-nitro-4-phenoxypyridin-2-amine);phenol;4-phenoxypyridine-2,3-diamine
CID 159975113
3-nitro-4-pentoxypyridin-2-amine
CID 67636767
1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
CID 3611764
2-chloro-N-methyl-3-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934906

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate (CID 141307800) is 9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate is CN(C(=O)OC1c2ccccc2-c2ccccc21)c1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1.
What is the InChIKey of 9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate?
The InChIKey is JMFNTVLZOLIXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O5/c1-29(16-10-12-17(13-11-16)34-22-14-15-28-25(27)23(22)30(32)33)26(31)35-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-15,24H,1H3,(H2,27,28).
What are the key properties of 9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate?
9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate has a molecular weight of 468.47 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate is sourced from PubChem (CID 141307800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).