2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide

C9H13N3O — CID 162641981

IUPAC2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide
SMILES[2H]c1nc([2H])c([2H])c(C(=O)NNC(C)C)c1[2H]
InChIInChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)/i3D,4D,5D,6D
InChIKeyNYMGNSNKLVNMIA-LNFUJOGGSA-N
MW183.25 g/mol
LogP0.72
Rot. Bonds3

About 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide

2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide (PubChem CID 162641981) has the molecular formula C9H13N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide
PubChem CID162641981
Molecular FormulaC9H13N3O
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide
SMILES[2H]c1nc([2H])c([2H])c(C(=O)NNC(C)C)c1[2H]
InChIInChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)/i3D,4D,5D,6D
InChIKeyNYMGNSNKLVNMIA-LNFUJOGGSA-N
XLogP0.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride
CID 175377849
4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide
CID 121440928
N-[4-[(propan-2-ylamino)carbamoyl]phenyl]methanimine oxide
CID 58689915
N'-(4-methylpentan-2-yl)pyridine-4-carbohydrazide
CID 27512
4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide
CID 1361933
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N'-[(2S)-1-piperidin-1-ylpropan-2-yl]pyridine-4-carbohydrazide
CID 95561922
methyl thiophene-3-carboxylate;N'-propan-2-ylthiophene-3-carbohydrazide;thiophene-3-carbohydrazide
CID 158983100
5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide
CID 172741610
N'-[(2R)-2-aminopropanoyl]pyridine-4-carbohydrazide
CID 24838770
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide?
The IUPAC name of 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide (CID 162641981) is 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide.
What is the SMILES notation for 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide?
The canonical SMILES for 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide is [2H]c1nc([2H])c([2H])c(C(=O)NNC(C)C)c1[2H].
What is the InChIKey of 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide?
The InChIKey is NYMGNSNKLVNMIA-LNFUJOGGSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)/i3D,4D,5D,6D.
What are the key properties of 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide?
2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide has a molecular weight of 183.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide is sourced from PubChem (CID 162641981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).