5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine

C15H17N3O3 — CID 80845026

IUPAC5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1
InChIInChI=1S/C15H17N3O3/c1-2-10-16-14-9-8-13(18(19)20)15(17-14)21-11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,16,17)
InChIKeyHBSYDMFFKPSMPR-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.39
Rot. Bonds7

About 5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine

5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine (PubChem CID 80845026) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
PubChem CID80845026
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1
InChIInChI=1S/C15H17N3O3/c1-2-10-16-14-9-8-13(18(19)20)15(17-14)21-11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,16,17)
InChIKeyHBSYDMFFKPSMPR-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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

6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
CID 82808221
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
5-nitro-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80844165
5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
CID 22565263
2-N-benzyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 113258948
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
CID 102741257
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine
CID 106598821
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
6-butyl-5-nitro-N-propylpyridin-2-amine
CID 106659336
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
N-(2-cyclopropyloxan-4-yl)-5-nitro-6-phenylmethoxypyridin-2-amine
CID 133473473
N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 69485063

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine?
The IUPAC name of 5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine (CID 80845026) is 5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine.
What is the SMILES notation for 5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine?
The canonical SMILES for 5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine is CCCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1.
What is the InChIKey of 5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine?
The InChIKey is HBSYDMFFKPSMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-10-16-14-9-8-13(18(19)20)15(17-14)21-11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,16,17).
What are the key properties of 5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine?
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine is sourced from PubChem (CID 80845026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).