2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid

C12H16N4O4 — CID 82763286

IUPAC2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1Nc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C12H16N4O4/c1-12(11(17)18)6-2-3-8(12)14-9-5-4-7(16(19)20)10(13)15-9/h4-5,8H,2-3,6H2,1H3,(H,17,18)(H3,13,14,15)
InChIKeyBNAFSDNNWCIZNF-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.63
Rot. Bonds4

About 2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763286) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763286
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1Nc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C12H16N4O4/c1-12(11(17)18)6-2-3-8(12)14-9-5-4-7(16(19)20)10(13)15-9/h4-5,8H,2-3,6H2,1H3,(H,17,18)(H3,13,14,15)
InChIKeyBNAFSDNNWCIZNF-UHFFFAOYSA-N
XLogP1.63
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 82763428
2-(2,3-difluoro-6-nitroanilino)-1-methylcyclopentane-1-carboxylic acid
CID 82763682
1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 79827812
1-methyl-2-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 83214225
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
CID 79825656
1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436128
2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762993
2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid
CID 81162036
1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 79815316
2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79825671
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82763286) is 2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1Nc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is BNAFSDNNWCIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-12(11(17)18)6-2-3-8(12)14-9-5-4-7(16(19)20)10(13)15-9/h4-5,8H,2-3,6H2,1H3,(H,17,18)(H3,13,14,15).
What are the key properties of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).