N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide

C16H17N3O3 — CID 5004887

IUPACN'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide
SMILESC=C(NNC(=O)c1ccncc1)c1cc(OC)ccc1OC
InChIInChI=1S/C16H17N3O3/c1-11(14-10-13(21-2)4-5-15(14)22-3)18-19-16(20)12-6-8-17-9-7-12/h4-10,18H,1H2,2-3H3,(H,19,20)
InChIKeySGTNOTRONLEQCV-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.00
Rot. Bonds6

About N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide

N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide (PubChem CID 5004887) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide
PubChem CID5004887
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide
SMILESC=C(NNC(=O)c1ccncc1)c1cc(OC)ccc1OC
InChIInChI=1S/C16H17N3O3/c1-11(14-10-13(21-2)4-5-15(14)22-3)18-19-16(20)12-6-8-17-9-7-12/h4-10,18H,1H2,2-3H3,(H,19,20)
InChIKeySGTNOTRONLEQCV-UHFFFAOYSA-N
XLogP2.00
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
CID 8639762
N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide
CID 8637145
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
4-methoxy-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzamide
CID 4628077
N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide
CID 24677398
(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone
CID 105098338
N'-[1-(4-methoxyphenyl)ethenyl]pyridine-3-carbohydrazide
CID 4744370
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
N'-(4-tert-butylbenzoyl)-2,4-dimethoxybenzohydrazide
CID 7980035
N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide
CID 47439309
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
3,4,5-trimethoxy-N'-[1-(3-methoxyphenyl)ethenyl]benzohydrazide
CID 2401018

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide (CID 5004887) is N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide is C=C(NNC(=O)c1ccncc1)c1cc(OC)ccc1OC.
What is the InChIKey of N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide?
The InChIKey is SGTNOTRONLEQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(14-10-13(21-2)4-5-15(14)22-3)18-19-16(20)12-6-8-17-9-7-12/h4-10,18H,1H2,2-3H3,(H,19,20).
What are the key properties of N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide?
N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide has a molecular weight of 299.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 5004887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).