N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide

C17H19N3O5 — CID 46651699

IUPACN'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide
SMILESCOc1cc(CC(=O)NNC(=O)c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O5/c1-23-13-7-11(8-14(24-2)16(13)25-3)9-15(21)19-20-17(22)12-5-4-6-18-10-12/h4-8,10H,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyPMEVYNQUMGRJRC-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.11
Rot. Bonds6

About N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide

N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide (PubChem CID 46651699) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide
PubChem CID46651699
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide
SMILESCOc1cc(CC(=O)NNC(=O)c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O5/c1-23-13-7-11(8-14(24-2)16(13)25-3)9-15(21)19-20-17(22)12-5-4-6-18-10-12/h4-8,10H,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyPMEVYNQUMGRJRC-UHFFFAOYSA-N
XLogP1.11
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
1-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921716
N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-3-carbohydrazide
CID 155927926
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N'-[2-(3-methoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 17386186
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N'-[2-(2-methylphenyl)acetyl]pyridine-3-carbohydrazide
CID 35152193
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359
N-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634332
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide (CID 46651699) is N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide is COc1cc(CC(=O)NNC(=O)c2cccnc2)cc(OC)c1OC.
What is the InChIKey of N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide?
The InChIKey is PMEVYNQUMGRJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-23-13-7-11(8-14(24-2)16(13)25-3)9-15(21)19-20-17(22)12-5-4-6-18-10-12/h4-8,10H,9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide?
N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide has a molecular weight of 345.36 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 46651699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).