3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one

C16H19N3O3 — CID 82467243

IUPAC3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one
SMILESCCCCCn1c(-c2ccc([N+](=O)[O-])cc2)ccc(N)c1=O
InChIInChI=1S/C16H19N3O3/c1-2-3-4-11-18-15(10-9-14(17)16(18)20)12-5-7-13(8-6-12)19(21)22/h5-10H,2-4,11,17H2,1H3
InChIKeyLXZFQQNKCWVRIW-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.20
Rot. Bonds6

About 3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one

3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one (PubChem CID 82467243) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one
PubChem CID82467243
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one
SMILESCCCCCn1c(-c2ccc([N+](=O)[O-])cc2)ccc(N)c1=O
InChIInChI=1S/C16H19N3O3/c1-2-3-4-11-18-15(10-9-14(17)16(18)20)12-5-7-13(8-6-12)19(21)22/h5-10H,2-4,11,17H2,1H3
InChIKeyLXZFQQNKCWVRIW-UHFFFAOYSA-N
XLogP3.20
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.20
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

3-amino-1-butyl-6-(3,4-dimethylphenyl)pyridin-2-one
CID 82466882
5-(4-nitrophenyl)-1-propylpyrrole-2-carboxylic acid
CID 43671989
1-butyl-2-(4-nitrophenyl)indole
CID 12654268
1-butyl-3-(hydroxymethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517056
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid
CID 82517008
5-nitro-2-nonylisoindole-1,3-dione
CID 3089282
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751
4-amino-6-(4-nitrophenyl)-2-propylpyridazin-3-one
CID 82467572
3-(hydroxymethyl)-1-(2-methylpropyl)-6-(4-nitrophenyl)pyridin-2-one
CID 82516944
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
4-hexoxy-7-nitro-3-octoxy-1-octylquinolin-2-one
CID 23300429

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one?
The IUPAC name of 3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one (CID 82467243) is 3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one.
What is the SMILES notation for 3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one?
The canonical SMILES for 3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one is CCCCCn1c(-c2ccc([N+](=O)[O-])cc2)ccc(N)c1=O.
What is the InChIKey of 3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one?
The InChIKey is LXZFQQNKCWVRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-3-4-11-18-15(10-9-14(17)16(18)20)12-5-7-13(8-6-12)19(21)22/h5-10H,2-4,11,17H2,1H3.
What are the key properties of 3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one?
3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one has a molecular weight of 301.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one is sourced from PubChem (CID 82467243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).