2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide

C17H19N3O3 — CID 78895668

IUPAC2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(C)nc2C)cc1
InChIInChI=1S/C17H19N3O3/c1-11-4-7-14(8-5-11)23-10-16(21)19-20-17(22)15-9-6-12(2)18-13(15)3/h4-9H,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQYFCMMHLVBFKKH-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.85
Rot. Bonds4

About 2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide

2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide (PubChem CID 78895668) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
PubChem CID78895668
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(C)nc2C)cc1
InChIInChI=1S/C17H19N3O3/c1-11-4-7-14(8-5-11)23-10-16(21)19-20-17(22)15-9-6-12(2)18-13(15)3/h4-9H,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQYFCMMHLVBFKKH-UHFFFAOYSA-N
XLogP1.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 78852321
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide
CID 24633129
5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 78873426
1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide
CID 78836123
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbenzohydrazide
CID 732287
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
N'-[2-(4-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945628
[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 11020991
N-(5-bromo-6-methyl-2-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 925711

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of 2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide (CID 78895668) is 2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2ccc(C)nc2C)cc1.
What is the InChIKey of 2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
The InChIKey is QYFCMMHLVBFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-4-7-14(8-5-11)23-10-16(21)19-20-17(22)15-9-6-12(2)18-13(15)3/h4-9H,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide?
2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide has a molecular weight of 313.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 78895668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).