2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol

C12H19N3O3 — CID 103858510

IUPAC2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCc1cc([N+](=O)[O-])cnc1NCCCC(C)CO
InChIInChI=1S/C12H19N3O3/c1-9(8-16)4-3-5-13-12-10(2)6-11(7-14-12)15(17)18/h6-7,9,16H,3-5,8H2,1-2H3,(H,13,14)
InChIKeyFNRMRGZAFQCKGT-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.12
Rot. Bonds7

About 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol

2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol (PubChem CID 103858510) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
PubChem CID103858510
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCc1cc([N+](=O)[O-])cnc1NCCCC(C)CO
InChIInChI=1S/C12H19N3O3/c1-9(8-16)4-3-5-13-12-10(2)6-11(7-14-12)15(17)18/h6-7,9,16H,3-5,8H2,1-2H3,(H,13,14)
InChIKeyFNRMRGZAFQCKGT-UHFFFAOYSA-N
XLogP2.12
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-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

2-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103858554
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
2-methyl-5-(2-methyl-5-nitroanilino)pentan-1-ol
CID 106158445
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
3-methyl-N-[2-(2-methylpropoxy)ethyl]-5-nitropyridin-2-amine
CID 115618354
2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 62477037
6-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106161886
N-ethyl-N-[3-[(3-methyl-5-nitro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 62477733
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
5-(2,6-difluoro-4-nitroanilino)-2-methylpentan-1-ol
CID 103858438
3-bromo-N-(4-methylpentyl)-5-nitropyridin-2-amine
CID 79534609
2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106163269

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol (CID 103858510) is 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol is Cc1cc([N+](=O)[O-])cnc1NCCCC(C)CO.
What is the InChIKey of 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is FNRMRGZAFQCKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(8-16)4-3-5-13-12-10(2)6-11(7-14-12)15(17)18/h6-7,9,16H,3-5,8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol has a molecular weight of 253.30 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 103858510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).