N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide

C16H18N4O4 — CID 42016381

IUPACN'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)c2cnccn2)cc(OC)c1
InChIInChI=1S/C16H18N4O4/c1-23-12-7-11(8-13(9-12)24-2)3-4-15(21)19-20-16(22)14-10-17-5-6-18-14/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWNPKMJPCLSQJFT-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.89
Rot. Bonds6

About N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide

N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide (PubChem CID 42016381) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide
PubChem CID42016381
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)c2cnccn2)cc(OC)c1
InChIInChI=1S/C16H18N4O4/c1-23-12-7-11(8-13(9-12)24-2)3-4-15(21)19-20-16(22)14-10-17-5-6-18-14/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWNPKMJPCLSQJFT-UHFFFAOYSA-N
XLogP0.89
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.89
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-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide
CID 42016001
2-[2-[3-(3,5-dimethoxyphenyl)propanoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532198
4-bromo-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037391
N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide
CID 108542841
N'-(3-cyclohexylpropanoyl)pyrazine-2-carbohydrazide
CID 754531
N'-[2-(2,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 38009598
1-cyclopentyl-3-[3-(3,5-dimethoxyphenyl)propanoylamino]thiourea
CID 9090148
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152
3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylanilino)acetyl]propanehydrazide
CID 22829646
N'-[2-(3-methoxyphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3128415
N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide
CID 9086066

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide (CID 42016381) is N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide is COc1cc(CCC(=O)NNC(=O)c2cnccn2)cc(OC)c1.
What is the InChIKey of N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide?
The InChIKey is WNPKMJPCLSQJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-23-12-7-11(8-13(9-12)24-2)3-4-15(21)19-20-16(22)14-10-17-5-6-18-14/h5-10H,3-4H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide?
N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide has a molecular weight of 330.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 42016381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).