2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide

C15H20N4O3 — CID 4744650

IUPAC2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide
SMILESCC(C)N1CC=C(NNC(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H20N4O3/c1-11(2)18-9-7-12(8-10-18)16-17-15(20)13-5-3-4-6-14(13)19(21)22/h3-7,11,16H,8-10H2,1-2H3,(H,17,20)
InChIKeyVARPJPDEWXUZMV-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.83
Rot. Bonds5

About 2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide

2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide (PubChem CID 4744650) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide.

Molecular Properties

Compound Name2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide
PubChem CID4744650
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide
SMILESCC(C)N1CC=C(NNC(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H20N4O3/c1-11(2)18-9-7-12(8-10-18)16-17-15(20)13-5-3-4-6-14(13)19(21)22/h3-7,11,16H,8-10H2,1-2H3,(H,17,20)
InChIKeyVARPJPDEWXUZMV-UHFFFAOYSA-N
XLogP1.83
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.83
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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2-methyl-N-[[(2-nitrobenzoyl)amino]carbamothioyl]propanamide
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2-nitro-N-piperidin-1-ylbenzamide
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N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
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CID 4958662

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide?
The IUPAC name of 2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide (CID 4744650) is 2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide.
What is the SMILES notation for 2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide?
The canonical SMILES for 2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide is CC(C)N1CC=C(NNC(=O)c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide?
The InChIKey is VARPJPDEWXUZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11(2)18-9-7-12(8-10-18)16-17-15(20)13-5-3-4-6-14(13)19(21)22/h3-7,11,16H,8-10H2,1-2H3,(H,17,20).
What are the key properties of 2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide?
2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide has a molecular weight of 304.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N'-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)benzohydrazide is sourced from PubChem (CID 4744650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).