1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine

C11H16N4O2 — CID 103186311

IUPAC1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine
SMILESCc1cnc(CN2CC(N)C2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2/c1-7-3-13-10(6-14-4-9(12)5-14)8(2)11(7)15(16)17/h3,9H,4-6,12H2,1-2H3
InChIKeyONJPGDOLIAWIGZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.75
Rot. Bonds3

About 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine

1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine (PubChem CID 103186311) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine
PubChem CID103186311
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine
SMILESCc1cnc(CN2CC(N)C2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2/c1-7-3-13-10(6-14-4-9(12)5-14)8(2)11(7)15(16)17/h3,9H,4-6,12H2,1-2H3
InChIKeyONJPGDOLIAWIGZ-UHFFFAOYSA-N
XLogP0.75
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.75
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'}

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Related Compounds

1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 103186282
[4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol
CID 103182805
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 103186358
4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine
CID 103185388
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 107160811
2-(chloromethyl)-3,5-dimethyl-4-nitropyridine;hydrate;hydrochloride
CID 141317816
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 103186194
2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-5-iodopyridazin-3-one
CID 103182081
[1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azepan-2-yl]methanol
CID 103182849
1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine
CID 103186135
2-(3,5-dimethyl-4-nitro-2-pyridinyl)acetic acid
CID 103185934
2-(3-chlorobutyl)-3,5-dimethyl-4-nitropyridine
CID 103182406

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine (CID 103186311) is 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine is Cc1cnc(CN2CC(N)C2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine?
The InChIKey is ONJPGDOLIAWIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-3-13-10(6-14-4-9(12)5-14)8(2)11(7)15(16)17/h3,9H,4-6,12H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine?
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine has a molecular weight of 236.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine is sourced from PubChem (CID 103186311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).