[3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol

C13H19N3O3 — CID 62526364

IUPAC[3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2cc([N+](=O)[O-])ccn2)C1
InChIInChI=1S/C13H19N3O3/c1-10-3-2-5-13(8-10,9-17)15-12-7-11(16(18)19)4-6-14-12/h4,6-7,10,17H,2-3,5,8-9H2,1H3,(H,14,15)
InChIKeyPBQQNHCMAKXKRV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.34
Rot. Bonds4

About [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol

[3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol (PubChem CID 62526364) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
PubChem CID62526364
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2cc([N+](=O)[O-])ccn2)C1
InChIInChI=1S/C13H19N3O3/c1-10-3-2-5-13(8-10,9-17)15-12-7-11(16(18)19)4-6-14-12/h4,6-7,10,17H,2-3,5,8-9H2,1H3,(H,14,15)
InChIKeyPBQQNHCMAKXKRV-UHFFFAOYSA-N
XLogP2.34
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.34
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'}

Analyze [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol 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

[3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 79176592
[3-methyl-1-[(3-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62553332
[1-[(6-chloropyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62553573
1-[(4-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid
CID 81164674
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 62527735
3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-4-nitrobenzonitrile
CID 104713642
[1-(2,3-difluoro-6-nitroanilino)-3-methylcyclohexyl]methanol
CID 62531973
N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
CID 55175056
1-methyl-2-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 83214225
[4-methyl-1-[(4-methyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 62525331
N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine
CID 107413743
3-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 55146536

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol (CID 62526364) is [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol is CC1CCCC(CO)(Nc2cc([N+](=O)[O-])ccn2)C1.
What is the InChIKey of [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
The InChIKey is PBQQNHCMAKXKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-3-2-5-13(8-10,9-17)15-12-7-11(16(18)19)4-6-14-12/h4,6-7,10,17H,2-3,5,8-9H2,1H3,(H,14,15).
What are the key properties of [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
[3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol has a molecular weight of 265.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(4-nitro-2-pyridinyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 62526364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).