4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine

C11H15N3O3 — CID 79173840

IUPAC4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCc1cc(NCC2CCCO2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-8-5-11(13-7-10(8)14(15)16)12-6-9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H,12,13)
InChIKeyUJLOVECKJKXMRZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.89
Rot. Bonds4

About 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine

4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 79173840) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID79173840
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCc1cc(NCC2CCCO2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-8-5-11(13-7-10(8)14(15)16)12-6-9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H,12,13)
InChIKeyUJLOVECKJKXMRZ-UHFFFAOYSA-N
XLogP1.89
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
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 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine 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

4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339782
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
4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
CID 115669034
3-methyl-8-nitro-N-(oxolan-2-ylmethyl)isoquinolin-5-amine
CID 102714226
5-methyl-4-nitro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 83269750
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
5-methyl-N-[(2-methyloxolan-3-yl)methyl]-4-nitropyridin-2-amine
CID 114106282
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 99906005
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 79173840) is 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine is Cc1cc(NCC2CCCO2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is UJLOVECKJKXMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-5-11(13-7-10(8)14(15)16)12-6-9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H,12,13).
What are the key properties of 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 79173840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).