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

C13H14N4O4 — CID 103469905

IUPAC1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESN#Cc1nc(NC2(C(=O)O)CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O4/c14-8-9-10(17(20)21)4-5-11(15-9)16-13(12(18)19)6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H,15,16)(H,18,19)
InChIKeyCFLRHNVLOKNDAZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.06
Rot. Bonds4

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

1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 103469905) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
PubChem CID103469905
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESN#Cc1nc(NC2(C(=O)O)CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O4/c14-8-9-10(17(20)21)4-5-11(15-9)16-13(12(18)19)6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H,15,16)(H,18,19)
InChIKeyCFLRHNVLOKNDAZ-UHFFFAOYSA-N
XLogP2.06
TPSA129.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
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'}

Analyze 1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-amino-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 79827812
6-[(1-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471774
6-[[1-(hydroxymethyl)cyclobutyl]amino]-3-nitropyridine-2-carbonitrile
CID 103472094
1-(5-chloro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 115469344
1-(5-bromo-2-nitroanilino)cyclopentane-1-carboxylic acid
CID 65341991
1-(2,3-difluoro-6-nitroanilino)cyclopentane-1-carboxylic acid
CID 62533137
3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170824
6-[2-(cyclopenten-1-yl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578069
1-(4-methyl-3-nitroanilino)cyclohexane-1-carboxylic acid
CID 62911078
1-(4-fluoro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 61291030
1-[(1-methyl-4-nitropyrazol-3-yl)amino]cyclohexane-1-carboxylic acid
CID 103079277
6-[(3,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471885

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (CID 103469905) is 1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is N#Cc1nc(NC2(C(=O)O)CCCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CFLRHNVLOKNDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c14-8-9-10(17(20)21)4-5-11(15-9)16-13(12(18)19)6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H,15,16)(H,18,19).
What are the key properties of 1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyano-5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103469905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).