N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine

C10H14N4O2 — CID 79176539

IUPACN-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine
SMILESCc1cc(N(C)C2CNC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2/c1-7-3-10(12-6-9(7)14(15)16)13(2)8-4-11-5-8/h3,6,8,11H,4-5H2,1-2H3
InChIKeyYZRZQOCUHJMWAE-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.71
Rot. Bonds3

About N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine

N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine (PubChem CID 79176539) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine
PubChem CID79176539
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine
SMILESCc1cc(N(C)C2CNC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2/c1-7-3-10(12-6-9(7)14(15)16)13(2)8-4-11-5-8/h3,6,8,11H,4-5H2,1-2H3
InChIKeyYZRZQOCUHJMWAE-UHFFFAOYSA-N
XLogP0.71
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.71
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 N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-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-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine
CID 161075001
N-methyl-N-(5-methyl-4-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83259622
N-[2-(aminomethyl)cyclopentyl]-N,4-dimethyl-5-nitropyridin-2-amine
CID 79176067
N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643758
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N,4-dimethyl-5-nitropyridin-2-amine
CID 133340148
N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106642055
N-ethyl-N-(3-methyl-4-nitrophenyl)azetidin-3-amine
CID 66182840
4-[azetidin-3-yl(methyl)amino]-3-nitrobenzenesulfonamide
CID 66181631
5-[azetidin-3-yl(methyl)amino]-2-nitrobenzonitrile
CID 113324219
4-[(4-methyl-5-nitro-2-pyridinyl)-propan-2-ylamino]butanoic acid
CID 79173307
N-(4-methyl-3-nitrophenyl)-N-propylazetidin-3-amine
CID 66213724

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine (CID 79176539) is N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine is Cc1cc(N(C)C2CNC2)ncc1[N+](=O)[O-].
What is the InChIKey of N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine?
The InChIKey is YZRZQOCUHJMWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-3-10(12-6-9(7)14(15)16)13(2)8-4-11-5-8/h3,6,8,11H,4-5H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine?
N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine has a molecular weight of 222.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 79176539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).