N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide

C13H16N4O3 — CID 4745366

IUPACN'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide
SMILESCN1CC=C(NNC(=O)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H16N4O3/c1-16-7-5-11(6-8-16)14-15-13(18)10-3-2-4-12(9-10)17(19)20/h2-5,9,14H,6-8H2,1H3,(H,15,18)
InChIKeyTUDDSYKUEAIMEE-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.05
Rot. Bonds4

About N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide

N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide (PubChem CID 4745366) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide
PubChem CID4745366
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide
SMILESCN1CC=C(NNC(=O)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H16N4O3/c1-16-7-5-11(6-8-16)14-15-13(18)10-3-2-4-12(9-10)17(19)20/h2-5,9,14H,6-8H2,1H3,(H,15,18)
InChIKeyTUDDSYKUEAIMEE-UHFFFAOYSA-N
XLogP1.05
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
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

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1-methyl-N'-(3-nitrobenzoyl)-4-piperidin-1-ylsulfonylpyrrole-2-carbohydrazide
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N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
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N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
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N-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide
CID 7722119
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CID 34314741
N-(bromomethyl)-3-nitrobenzamide
CID 152767931
N-tert-butyl-2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
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N-morpholin-4-yl-3-nitrobenzamide
CID 871425

Frequently Asked Questions

What is the IUPAC name of N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide (CID 4745366) is N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide is CN1CC=C(NNC(=O)c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide?
The InChIKey is TUDDSYKUEAIMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16-7-5-11(6-8-16)14-15-13(18)10-3-2-4-12(9-10)17(19)20/h2-5,9,14H,6-8H2,1H3,(H,15,18).
What are the key properties of N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide?
N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide has a molecular weight of 276.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-nitrobenzohydrazide is sourced from PubChem (CID 4745366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).