4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide

C13H18N4O4 — CID 115321461

IUPAC4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H18N4O4/c1-21-11-7-6-10(17(19)20)13(16-11)15-9-4-2-8(3-5-9)12(14)18/h6-9H,2-5H2,1H3,(H2,14,18)(H,15,16)
InChIKeyROICQUZYAVSACE-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.45
Rot. Bonds5

About 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide

4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide (PubChem CID 115321461) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
PubChem CID115321461
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H18N4O4/c1-21-11-7-6-10(17(19)20)13(16-11)15-9-4-2-8(3-5-9)12(14)18/h6-9H,2-5H2,1H3,(H2,14,18)(H,15,16)
InChIKeyROICQUZYAVSACE-UHFFFAOYSA-N
XLogP1.45
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.45
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'}

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Related Compounds

N-(4,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321551
tert-butyl 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylate
CID 67130835
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476
6-methoxy-N-(3-methylsulfanylcyclohexyl)-3-nitropyridin-2-amine
CID 103739215
N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321580
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439
N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321546
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine
CID 114695495
N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine
CID 103863968
N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine
CID 71053746

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide (CID 115321461) is 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide is COc1ccc([N+](=O)[O-])c(NC2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide?
The InChIKey is ROICQUZYAVSACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-21-11-7-6-10(17(19)20)13(16-11)15-9-4-2-8(3-5-9)12(14)18/h6-9H,2-5H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide?
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 115321461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).