N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide

C15H13N5O6 — CID 23246538

IUPACN'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide
SMILESO=C(CCc1cccnc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N5O6/c21-14(6-3-10-2-1-7-16-9-10)15(22)18-17-12-5-4-11(19(23)24)8-13(12)20(25)26/h1-2,4-5,7-9,17H,3,6H2,(H,18,22)
InChIKeyQRGMUPMHIDTZGF-UHFFFAOYSA-N
MW359.30 g/mol
LogP1.54
Rot. Bonds8

About N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide

N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide (PubChem CID 23246538) has the molecular formula C15H13N5O6 and a molecular weight of 359.30 g/mol. Its IUPAC name is N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide.

Molecular Properties

Compound NameN'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide
PubChem CID23246538
Molecular FormulaC15H13N5O6
Molecular Weight359.30 g/mol
Exact Mass359.09
IUPAC NameN'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide
SMILESO=C(CCc1cccnc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N5O6/c21-14(6-3-10-2-1-7-16-9-10)15(22)18-17-12-5-4-11(19(23)24)8-13(12)20(25)26/h1-2,4-5,7-9,17H,3,6H2,(H,18,22)
InChIKeyQRGMUPMHIDTZGF-UHFFFAOYSA-N
XLogP1.54
TPSA157.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

2-chloro-4-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 31408601
N-[(2,4-dinitrophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66222624
N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide
CID 9207905
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-pyridin-3-ylpropanamide
CID 17420812
2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
CID 4631764
3,5-dinitro-2-(pyridin-3-ylmethylamino)benzoic acid
CID 2838912
[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid
CID 23421481
2-(2,4-dinitroanilino)acetate
CID 4738135
N-[4-(2,4-dinitroanilino)phenyl]-3-phenylpropanamide
CID 17233528
2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 30889614
N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
CID 78969725

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide?
The IUPAC name of N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide (CID 23246538) is N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide.
What is the SMILES notation for N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide?
The canonical SMILES for N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide is O=C(CCc1cccnc1)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide?
The InChIKey is QRGMUPMHIDTZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O6/c21-14(6-3-10-2-1-7-16-9-10)15(22)18-17-12-5-4-11(19(23)24)8-13(12)20(25)26/h1-2,4-5,7-9,17H,3,6H2,(H,18,22).
What are the key properties of N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide?
N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide has a molecular weight of 359.30 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dinitrophenyl)-2-oxo-4-pyridin-3-ylbutanehydrazide is sourced from PubChem (CID 23246538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).