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

C12H15N3O4 — CID 64817039

IUPAC2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccnc(NC2CCCC2C(=O)O)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O4/c1-7-5-6-13-11(10(7)15(18)19)14-9-4-2-3-8(9)12(16)17/h5-6,8-9H,2-4H2,1H3,(H,13,14)(H,16,17)
InChIKeyZXQAJUUCJJOBBM-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.96
Rot. Bonds4

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

2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64817039) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64817039
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccnc(NC2CCCC2C(=O)O)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O4/c1-7-5-6-13-11(10(7)15(18)19)14-9-4-2-3-8(9)12(16)17/h5-6,8-9H,2-4H2,1H3,(H,13,14)(H,16,17)
InChIKeyZXQAJUUCJJOBBM-UHFFFAOYSA-N
XLogP1.96
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.96
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-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64817052
4-[(4-methyl-3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66241505
2-[(3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64818217
N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine
CID 83026251
2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106534894
N-(4-methyl-3-nitro-2-pyridinyl)benzamide
CID 4120370
1-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid
CID 81165359
2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64815877
2-[(3-carbamoylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 64817049
2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 65416448
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
2-[1-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]acetic acid
CID 79845326

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid (CID 64817039) is 2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is Cc1ccnc(NC2CCCC2C(=O)O)c1[N+](=O)[O-].
What is the InChIKey of 2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZXQAJUUCJJOBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-5-6-13-11(10(7)15(18)19)14-9-4-2-3-8(9)12(16)17/h5-6,8-9H,2-4H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid?
2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).