6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid

C14H19N3O4 — CID 81441566

IUPAC6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCCCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c18-14(19)10-8-12(17(20)21)13(15-9-10)16-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,15,16)(H,18,19)
InChIKeyJZEKJEJKIALEKA-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.21
Rot. Bonds4

About 6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid

6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid (PubChem CID 81441566) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid
PubChem CID81441566
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCCCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c18-14(19)10-8-12(17(20)21)13(15-9-10)16-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,15,16)(H,18,19)
InChIKeyJZEKJEJKIALEKA-UHFFFAOYSA-N
XLogP3.21
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-[(1,1-dioxothiolan-3-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438166
6-(cyclohexylmethylamino)-5-nitropyridine-3-carboxylic acid
CID 81438306
6-[(3,3-dimethylcyclopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114546978
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
6-[(2-hydroxycyclohexyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81448011
5-amino-6-(cyclooctylamino)pyridine-3-carboxylic acid
CID 81438891
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825
6-[[2-(hydroxymethyl)cyclopentyl]methylamino]-5-nitropyridine-3-carboxylic acid
CID 81446810
6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81437711
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-nitropyridine-3-carboxylic acid
CID 81447399

Frequently Asked Questions

What is the IUPAC name of 6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid (CID 81441566) is 6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid is O=C(O)c1cnc(NC2CCCCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid?
The InChIKey is JZEKJEJKIALEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-14(19)10-8-12(17(20)21)13(15-9-10)16-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,15,16)(H,18,19).
What are the key properties of 6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid?
6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 81441566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).