5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine

C17H19N3O3 — CID 133408928

IUPAC5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine
SMILESCC(Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CCCO1
InChIInChI=1S/C17H19N3O3/c1-12(15-8-5-11-23-15)18-16-10-9-14(20(21)22)17(19-16)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,18,19)
InChIKeyPMRGJZPXEUTNAY-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.64
Rot. Bonds5

About 5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine

5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine (PubChem CID 133408928) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine
PubChem CID133408928
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine
SMILESCC(Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CCCO1
InChIInChI=1S/C17H19N3O3/c1-12(15-8-5-11-23-15)18-16-10-9-14(20(21)22)17(19-16)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,18,19)
InChIKeyPMRGJZPXEUTNAY-UHFFFAOYSA-N
XLogP3.64
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.64
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-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114403642
1-N-methyl-2-nitro-3-N-[1-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80781941
4-nitro-3-[1-(oxolan-2-yl)ethylamino]benzamide
CID 82995799
2-nitro-3-[1-(oxolan-2-yl)ethylamino]benzoic acid
CID 115542172
5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 61147056
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469
1-[3-nitro-4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]amino]phenyl]ethanone
CID 38743490
6-N-(1-cyclohexylethyl)-3-nitropyridine-2,6-diamine
CID 79816301
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
CID 133459077
N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 133290907
1-N-methyl-5-nitro-3-N-[1-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80780888
2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
CID 136747997

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine?
The IUPAC name of 5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine (CID 133408928) is 5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine?
The canonical SMILES for 5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine is CC(Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CCCO1.
What is the InChIKey of 5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine?
The InChIKey is PMRGJZPXEUTNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(15-8-5-11-23-15)18-16-10-9-14(20(21)22)17(19-16)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,18,19).
What are the key properties of 5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine?
5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine has a molecular weight of 313.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-(oxolan-2-yl)ethyl]-6-phenylpyridin-2-amine is sourced from PubChem (CID 133408928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).