N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide

C19H14N2O2 — CID 51154962

IUPACN-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc[n+]([O-])cc1
InChIInChI=1S/C19H14N2O2/c22-19(13-7-9-21(23)10-8-13)20-16-5-6-18-15(12-16)11-14-3-1-2-4-17(14)18/h1-10,12H,11H2,(H,20,22)
InChIKeyHFJXEPJNKJRTSG-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.14
Rot. Bonds2

About N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide

N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide (PubChem CID 51154962) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide
PubChem CID51154962
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC NameN-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc[n+]([O-])cc1
InChIInChI=1S/C19H14N2O2/c22-19(13-7-9-21(23)10-8-13)20-16-5-6-18-15(12-16)11-14-3-1-2-4-17(14)18/h1-10,12H,11H2,(H,20,22)
InChIKeyHFJXEPJNKJRTSG-UHFFFAOYSA-N
XLogP3.14
TPSA56.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-2-carboxamide
CID 75362684
4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide
CID 34074909
3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide
CID 806714
N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 24637018
4-cyano-N-(9H-fluoren-3-yl)benzamide
CID 8699343
3-(cyclopropanecarbonylamino)-N-(9H-fluoren-2-yl)benzamide
CID 34074777
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
5-acetyl-N-(9H-fluoren-2-yl)thiophene-2-carboxamide
CID 39996046
6-(cyclopropylamino)-N-(9H-fluoren-2-yl)pyridine-3-carboxamide
CID 60563532
4-ethoxy-N-(9H-fluoren-2-yl)-3-methoxybenzamide
CID 26889772
3,6-dichloro-N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 26783735
N-(9H-fluoren-2-yl)-3-methylfuran-2-carboxamide
CID 38708919

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide?
The IUPAC name of N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide (CID 51154962) is N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide is O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc[n+]([O-])cc1.
What is the InChIKey of N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide?
The InChIKey is HFJXEPJNKJRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-19(13-7-9-21(23)10-8-13)20-16-5-6-18-15(12-16)11-14-3-1-2-4-17(14)18/h1-10,12H,11H2,(H,20,22).
What are the key properties of N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide?
N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide is sourced from PubChem (CID 51154962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).