5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine

C15H17N3O3 — CID 83266871

IUPAC5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine
SMILESCc1cnc(NCCCOc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3/c1-12-11-17-15(10-14(12)18(19)20)16-8-5-9-21-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,17)
InChIKeyMVVZGNYAOFTIIO-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.18
Rot. Bonds7

About 5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine

5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine (PubChem CID 83266871) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine
PubChem CID83266871
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine
SMILESCc1cnc(NCCCOc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3/c1-12-11-17-15(10-14(12)18(19)20)16-8-5-9-21-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,17)
InChIKeyMVVZGNYAOFTIIO-UHFFFAOYSA-N
XLogP3.18
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-5-methyl-4-nitropyridin-2-amine
CID 83269938
5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 83266664
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
3-methyl-4-nitro-N-(3-phenoxypropyl)aniline
CID 60969199
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
CID 79165242
5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
CID 107816181
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 83267804
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
N-[[2-(aminomethyl)phenyl]methyl]-5-methyl-4-nitropyridin-2-amine
CID 83271433

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine?
The IUPAC name of 5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine (CID 83266871) is 5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine is Cc1cnc(NCCCOc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine?
The InChIKey is MVVZGNYAOFTIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-12-11-17-15(10-14(12)18(19)20)16-8-5-9-21-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,17).
What are the key properties of 5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine?
5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine is sourced from PubChem (CID 83266871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).