3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine

C11H15N3O3 — CID 62350491

IUPAC3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCC1CCOCC1
InChIInChI=1S/C11H15N3O3/c15-14(16)10-2-1-5-12-11(10)13-8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,12,13)
InChIKeyOXVDVOXZSWDIHT-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.83
Rot. Bonds4

About 3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine

3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 62350491) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID62350491
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCC1CCOCC1
InChIInChI=1S/C11H15N3O3/c15-14(16)10-2-1-5-12-11(10)13-8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,12,13)
InChIKeyOXVDVOXZSWDIHT-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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

3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215
3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 71008351
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
6-chloro-3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 63705752
N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 133441803
N-(1,3-dioxolan-2-ylmethyl)-3-nitropyridin-2-amine;2-N-(1,3-dioxolan-2-ylmethyl)pyridine-2,3-diamine
CID 160851198
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-nitropyridin-2-amine
CID 56786790
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine
CID 95785017
N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
CID 63870698
tert-butyl (3R)-3-[[(3-nitro-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 86318245
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 62350491) is 3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1NCC1CCOCC1.
What is the InChIKey of 3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is OXVDVOXZSWDIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-14(16)10-2-1-5-12-11(10)13-8-9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,12,13).
What are the key properties of 3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine?
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62350491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).