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

C11H15N3O3 — CID 63713128

IUPAC6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCC2CCOCC2)cn1
InChIInChI=1S/C11H15N3O3/c15-14(16)11-2-1-10(8-13-11)12-7-9-3-5-17-6-4-9/h1-2,8-9,12H,3-7H2
InChIKeyHBCAOCUAEYKXBT-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.83
Rot. Bonds4

About 6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine

6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine (PubChem CID 63713128) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine
PubChem CID63713128
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCC2CCOCC2)cn1
InChIInChI=1S/C11H15N3O3/c15-14(16)11-2-1-10(8-13-11)12-7-9-3-5-17-6-4-9/h1-2,8-9,12H,3-7H2
InChIKeyHBCAOCUAEYKXBT-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

5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
CID 115490926
N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
CID 115324252
5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
N-[2-(4-aminocyclohexyl)oxyethyl]-6-nitropyridin-3-amine
CID 63869519
N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
CID 115633969
N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine
CID 63897277
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
N-(dicyclopropylmethyl)-6-nitropyridin-3-amine
CID 62542739
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-nitropyridin-3-amine
CID 78992980
6-chloro-3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 63705752

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine (CID 63713128) is 6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine is O=[N+]([O-])c1ccc(NCC2CCOCC2)cn1.
What is the InChIKey of 6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine?
The InChIKey is HBCAOCUAEYKXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-14(16)11-2-1-10(8-13-11)12-7-9-3-5-17-6-4-9/h1-2,8-9,12H,3-7H2.
What are the key properties of 6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine?
6-nitro-N-(oxan-4-ylmethyl)pyridin-3-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 6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 63713128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).