N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide

C16H17N3O3 — CID 774755

IUPACN'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cccnc2)cc1C
InChIInChI=1S/C16H17N3O3/c1-11-5-6-14(8-12(11)2)22-10-15(20)18-19-16(21)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJNJYALGZUKYTJO-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.54
Rot. Bonds4

About N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide

N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide (PubChem CID 774755) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide
PubChem CID774755
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cccnc2)cc1C
InChIInChI=1S/C16H17N3O3/c1-11-5-6-14(8-12(11)2)22-10-15(20)18-19-16(21)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJNJYALGZUKYTJO-UHFFFAOYSA-N
XLogP1.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.54
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

2-Phenoxynicotinohydrazide
CID 2797685
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135642283
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
9P7ZX5Bwv8
CID 9904911
6-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide
CID 57755473
N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]pyridine-3-carboxamide
CID 2043605
N'-[2-(3,5-dimethylphenoxy)acetyl]pyridine-2-carbohydrazide
CID 16330911
3-methoxy-N'-(3-pyridinylcarbonyl)benzohydrazide
CID 789910
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]nicotinohydrazide
CID 808281
N-[2-(2-m-Tolyloxy-acetylamino)-ethyl]-isonicotinamide
CID 2985154
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-isonicotinamide
CID 2987207
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-nicotinamide
CID 2988570

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide (CID 774755) is N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2cccnc2)cc1C.
What is the InChIKey of N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide?
The InChIKey is JNJYALGZUKYTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-5-6-14(8-12(11)2)22-10-15(20)18-19-16(21)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide?
N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide has a molecular weight of 299.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 774755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).