N'-(2-methylpentanoyl)pyridine-3-carbohydrazide

C12H17N3O2 — CID 78780746

IUPACN'-(2-methylpentanoyl)pyridine-3-carbohydrazide
SMILESCCCC(C)C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C12H17N3O2/c1-3-5-9(2)11(16)14-15-12(17)10-6-4-7-13-8-10/h4,6-9H,3,5H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBFXYAWXUTHOIDA-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.28
Rot. Bonds4

About N'-(2-methylpentanoyl)pyridine-3-carbohydrazide

N'-(2-methylpentanoyl)pyridine-3-carbohydrazide (PubChem CID 78780746) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-(2-methylpentanoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylpentanoyl)pyridine-3-carbohydrazide
PubChem CID78780746
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN'-(2-methylpentanoyl)pyridine-3-carbohydrazide
SMILESCCCC(C)C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C12H17N3O2/c1-3-5-9(2)11(16)14-15-12(17)10-6-4-7-13-8-10/h4,6-9H,3,5H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBFXYAWXUTHOIDA-UHFFFAOYSA-N
XLogP1.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
4-chloro-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 35148834
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N'-[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]pyridine-3-carbohydrazide
CID 60592519
N'-[2-(2-methylphenyl)acetyl]pyridine-3-carbohydrazide
CID 35152193
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
benzyl N-[(2S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]butan-2-yl]carbamate
CID 35149040
N-methylpyridine-3-carboxamide chloride
CID 20976730

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpentanoyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(2-methylpentanoyl)pyridine-3-carbohydrazide (CID 78780746) is N'-(2-methylpentanoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2-methylpentanoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(2-methylpentanoyl)pyridine-3-carbohydrazide is CCCC(C)C(=O)NNC(=O)c1cccnc1.
What is the InChIKey of N'-(2-methylpentanoyl)pyridine-3-carbohydrazide?
The InChIKey is BFXYAWXUTHOIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-5-9(2)11(16)14-15-12(17)10-6-4-7-13-8-10/h4,6-9H,3,5H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-methylpentanoyl)pyridine-3-carbohydrazide?
N'-(2-methylpentanoyl)pyridine-3-carbohydrazide has a molecular weight of 235.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpentanoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 78780746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).