N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide

C13H17N3O2 — CID 68909765

IUPACN'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide
SMILESCC(C)(C(=O)NNC(=O)C1CC1)c1ccccn1
InChIInChI=1S/C13H17N3O2/c1-13(2,10-5-3-4-8-14-10)12(18)16-15-11(17)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHIGQTEIENSOUDM-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.92
Rot. Bonds3

About N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide

N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide (PubChem CID 68909765) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide
PubChem CID68909765
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide
SMILESCC(C)(C(=O)NNC(=O)C1CC1)c1ccccn1
InChIInChI=1S/C13H17N3O2/c1-13(2,10-5-3-4-8-14-10)12(18)16-15-11(17)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHIGQTEIENSOUDM-UHFFFAOYSA-N
XLogP0.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.92
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-methyl-2-pyridin-2-ylpropanoate
CID 58077167
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
CID 91491715
2-cyclopropyl-2-pyridin-2-ylpropanoic acid
CID 70421817
3-amino-N-(2-methyl-2-pyridin-2-ylpropyl)cyclobutane-1-carboxamide
CID 115161770
benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 146163582
N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide
CID 51117816
N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide
CID 89458374
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505
N-pyridin-2-ylsulfonylcyclopropanecarboxamide
CID 150675876
2-tert-butylpyridine;ethane;methane
CID 143332153
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide?
The IUPAC name of N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide (CID 68909765) is N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide.
What is the SMILES notation for N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide?
The canonical SMILES for N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide is CC(C)(C(=O)NNC(=O)C1CC1)c1ccccn1.
What is the InChIKey of N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide?
The InChIKey is HIGQTEIENSOUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,10-5-3-4-8-14-10)12(18)16-15-11(17)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide?
N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide has a molecular weight of 247.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-2-pyridin-2-ylpropanoyl)cyclopropanecarbohydrazide is sourced from PubChem (CID 68909765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).