2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol

C13H21N3O3 — CID 81139120

IUPAC2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
SMILESCc1ccc([N+](=O)[O-])c(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)7-13(4,17)8-14-12-11(16(18)19)6-5-10(3)15-12/h5-6,9,17H,7-8H2,1-4H3,(H,14,15)
InChIKeyLTFXSLBOKPWOQN-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.51
Rot. Bonds6

About 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol

2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol (PubChem CID 81139120) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
PubChem CID81139120
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
SMILESCc1ccc([N+](=O)[O-])c(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)7-13(4,17)8-14-12-11(16(18)19)6-5-10(3)15-12/h5-6,9,17H,7-8H2,1-4H3,(H,14,15)
InChIKeyLTFXSLBOKPWOQN-UHFFFAOYSA-N
XLogP2.51
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.51
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 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol 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

6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
N-(2-ethyl-2-methylsulfanylbutyl)-6-methyl-3-nitropyridin-2-amine
CID 103780075
6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine
CID 81140719
2,4-dimethyl-1-(4-methyl-3-nitroanilino)pentan-2-ol
CID 66178811
N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 81333468
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 80850691
6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 113260898
4-methyl-4-[(6-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 81131671
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]pentan-1-ol
CID 81138189
2,4-dimethyl-1-[(2-nitro-3-pyridinyl)amino]pentan-2-ol
CID 113424897

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol (CID 81139120) is 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol is Cc1ccc([N+](=O)[O-])c(NCC(C)(O)CC(C)C)n1.
What is the InChIKey of 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol?
The InChIKey is LTFXSLBOKPWOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)7-13(4,17)8-14-12-11(16(18)19)6-5-10(3)15-12/h5-6,9,17H,7-8H2,1-4H3,(H,14,15).
What are the key properties of 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol?
2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol has a molecular weight of 267.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 81139120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).