2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid

C11H13N3O4 — CID 64815877

IUPAC2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O4/c15-11(16)7-2-1-3-8(7)13-9-4-5-12-6-10(9)14(17)18/h4-8H,1-3H2,(H,12,13)(H,15,16)
InChIKeyCXZIINFHEKGVSM-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.65
Rot. Bonds4

About 2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid

2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64815877) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64815877
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O4/c15-11(16)7-2-1-3-8(7)13-9-4-5-12-6-10(9)14(17)18/h4-8H,1-3H2,(H,12,13)(H,15,16)
InChIKeyCXZIINFHEKGVSM-UHFFFAOYSA-N
XLogP1.65
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.65
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

2-[(3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64818217
2-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]propanoic acid
CID 64668069
methyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 59465527
2-(2-bromo-4-nitroanilino)cyclopentane-1-carboxylic acid
CID 64818204
4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine
CID 62318502
3-nitro-N-piperidin-4-ylpyridin-4-amine
CID 43167668
2-(3-fluoro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 64815498
3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 62094517
2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817039
ethyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 23374509
cis-(1S,2R)-2-(4-acetyl-2-nitroanilino)cyclopentane-1-carboxamide
CID 95975448
N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide
CID 78920193

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 64815877) is 2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Nc1ccncc1[N+](=O)[O-].
What is the InChIKey of 2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CXZIINFHEKGVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-11(16)7-2-1-3-8(7)13-9-4-5-12-6-10(9)14(17)18/h4-8H,1-3H2,(H,12,13)(H,15,16).
What are the key properties of 2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid?
2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).