6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine

C16H25N3O3 — CID 133440404

IUPAC6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
SMILESCCC(CC)C1CC(Nc2ccc([N+](=O)[O-])c(C)n2)CCO1
InChIInChI=1S/C16H25N3O3/c1-4-12(5-2)15-10-13(8-9-22-15)18-16-7-6-14(19(20)21)11(3)17-16/h6-7,12-13,15H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyPZUYVXAWRLIMFL-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.69
Rot. Bonds6

About 6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine

6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine (PubChem CID 133440404) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
PubChem CID133440404
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
SMILESCCC(CC)C1CC(Nc2ccc([N+](=O)[O-])c(C)n2)CCO1
InChIInChI=1S/C16H25N3O3/c1-4-12(5-2)15-10-13(8-9-22-15)18-16-7-6-14(19(20)21)11(3)17-16/h6-7,12-13,15H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyPZUYVXAWRLIMFL-UHFFFAOYSA-N
XLogP3.69
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.69
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-nitro-2-N-(2-pentan-3-yloxan-4-yl)pyrimidine-2,4-diamine
CID 133441656
N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
CID 103082006
N-(2-cyclopropyloxolan-3-yl)-6-methyl-5-nitropyridin-2-amine
CID 103864059
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
CID 80718381
3-nitro-2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-4-carbonitrile
CID 133441647
N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine
CID 133473473
6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103764759
5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
4-(dimethylamino)-3-nitro-N-[(2R,4S)-2-pentan-3-yloxan-4-yl]benzamide
CID 97259816

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine (CID 133440404) is 6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine is CCC(CC)C1CC(Nc2ccc([N+](=O)[O-])c(C)n2)CCO1.
What is the InChIKey of 6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine?
The InChIKey is PZUYVXAWRLIMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-12(5-2)15-10-13(8-9-22-15)18-16-7-6-14(19(20)21)11(3)17-16/h6-7,12-13,15H,4-5,8-10H2,1-3H3,(H,17,18).
What are the key properties of 6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine?
6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine has a molecular weight of 307.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 133440404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).