N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide

C16H17N3O3 — CID 24981766

IUPACN'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide
SMILESCOc1ccccc1CCC(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-12(14)6-7-15(20)18-19-16(21)13-8-10-17-11-9-13/h2-5,8-11H,6-7H2,1H3,(H,18,20)(H,19,21)
InChIKeySLGBODPJWZZLTL-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.48
Rot. Bonds5

About N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide

N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide (PubChem CID 24981766) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide
PubChem CID24981766
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide
SMILESCOc1ccccc1CCC(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-12(14)6-7-15(20)18-19-16(21)13-8-10-17-11-9-13/h2-5,8-11H,6-7H2,1H3,(H,18,20)(H,19,21)
InChIKeySLGBODPJWZZLTL-UHFFFAOYSA-N
XLogP1.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.48
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'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6897208
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 9571166
N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]pyridine-3-carboxamide
CID 2043605
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 6880157
2-methoxy-N-pyridin-4-ylbenzamide
CID 814758
N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 2303641
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164
4-ethoxy-N'-[phenyl(2-pyridinyl)methylene]benzohydrazide
CID 5411787
N'-(3,5-dimethoxybenzoyl)pyridine-4-carbohydrazide
CID 773379
3-methoxy-N'-(3-pyridinylcarbonyl)benzohydrazide
CID 789910
4-(4-methoxyphenyl)-4-oxo-N-(3-pyridyl)butanamide
CID 1090583

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide (CID 24981766) is N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide is COc1ccccc1CCC(=O)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide?
The InChIKey is SLGBODPJWZZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-14-5-3-2-4-12(14)6-7-15(20)18-19-16(21)13-8-10-17-11-9-13/h2-5,8-11H,6-7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide?
N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide has a molecular weight of 299.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 24981766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).