[3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol

C14H21N3O3 — CID 79176592

IUPAC[3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESCc1cc(NC2(CO)CCCC(C)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-10-4-3-5-14(7-10,9-18)16-13-6-11(2)12(8-15-13)17(19)20/h6,8,10,18H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyFEDJXJOWKLNYBN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.65
Rot. Bonds4

About [3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol

[3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol (PubChem CID 79176592) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol
PubChem CID79176592
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESCc1cc(NC2(CO)CCCC(C)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-10-4-3-5-14(7-10,9-18)16-13-6-11(2)12(8-15-13)17(19)20/h6,8,10,18H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyFEDJXJOWKLNYBN-UHFFFAOYSA-N
XLogP2.65
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.65
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-methyl-5-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-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 62526364
3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-4-nitrobenzonitrile
CID 104713642
[1-[(6-chloropyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62553573
[1-(2,3-difluoro-6-nitroanilino)-3-methylcyclohexyl]methanol
CID 62531973
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 63208586
1-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 82763428
N-[1-(aminomethyl)cyclopentyl]-5-methyl-4-nitropyridin-2-amine
CID 83271785
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
CID 79173443
4-[(4-methyl-5-nitro-2-pyridinyl)amino]oxane-4-carboxylic acid
CID 115292058
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79176232
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 79176047
[1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731868

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol (CID 79176592) is [3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol is Cc1cc(NC2(CO)CCCC(C)C2)ncc1[N+](=O)[O-].
What is the InChIKey of [3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
The InChIKey is FEDJXJOWKLNYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-4-3-5-14(7-10,9-18)16-13-6-11(2)12(8-15-13)17(19)20/h6,8,10,18H,3-5,7,9H2,1-2H3,(H,15,16).
What are the key properties of [3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol?
[3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol has a molecular weight of 279.34 g/mol, XLogP of 2.65, 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-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 79176592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).