N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine

C10H14N4O3 — CID 113286974

IUPACN-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(N(C)C2CNC2)n1
InChIInChI=1S/C10H14N4O3/c1-13(7-5-11-6-7)10-8(14(15)16)3-4-9(12-10)17-2/h3-4,7,11H,5-6H2,1-2H3
InChIKeyMKGGKCCETLMSAE-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.41
Rot. Bonds4

About N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine

N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine (PubChem CID 113286974) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine
PubChem CID113286974
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(N(C)C2CNC2)n1
InChIInChI=1S/C10H14N4O3/c1-13(7-5-11-6-7)10-8(14(15)16)3-4-9(12-10)17-2/h3-4,7,11H,5-6H2,1-2H3
InChIKeyMKGGKCCETLMSAE-UHFFFAOYSA-N
XLogP0.41
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907
4-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]oxolane-3-carboxylic acid
CID 115321251
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
CID 58903886
4-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]butan-2-ol
CID 113252246
3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol
CID 69333966
6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 154749946
5-[azetidin-3-yl(methyl)amino]-2-nitrobenzonitrile
CID 113324219
3-[(6-methoxy-3-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115323357
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine
CID 115323291
6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
CID 115323414
1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
CID 174432384

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine (CID 113286974) is N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(N(C)C2CNC2)n1.
What is the InChIKey of N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine?
The InChIKey is MKGGKCCETLMSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-13(7-5-11-6-7)10-8(14(15)16)3-4-9(12-10)17-2/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine?
N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine has a molecular weight of 238.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-methoxy-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 113286974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).