N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide

C16H15N3O4 — CID 25295416

IUPACN'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide
SMILESO=C(CCc1ccc2c(c1)OCO2)NNC(=O)c1ccncc1
InChIInChI=1S/C16H15N3O4/c20-15(18-19-16(21)12-5-7-17-8-6-12)4-2-11-1-3-13-14(9-11)23-10-22-13/h1,3,5-9H,2,4,10H2,(H,18,20)(H,19,21)
InChIKeyJVAMWFLEGROFBT-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.20
Rot. Bonds4

About N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide

N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide (PubChem CID 25295416) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide
PubChem CID25295416
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide
SMILESO=C(CCc1ccc2c(c1)OCO2)NNC(=O)c1ccncc1
InChIInChI=1S/C16H15N3O4/c20-15(18-19-16(21)12-5-7-17-8-6-12)4-2-11-1-3-13-14(9-11)23-10-22-13/h1,3,5-9H,2,4,10H2,(H,18,20)(H,19,21)
InChIKeyJVAMWFLEGROFBT-UHFFFAOYSA-N
XLogP1.20
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.20
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-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
4-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 18159216
N'-[3-(1,3-benzodioxol-5-yl)propanoyl]-4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide
CID 24635745
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902
N'-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22542619
1,3-bis(1,3-benzodioxol-5-yl)propan-1-one
CID 121289567
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651
methyl 3-(1,3-benzodioxol-5-yl)propanoate
CID 10081775
3-(1,3-benzodioxol-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 131952515
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17440928
N-[2-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-4-chlorobenzamide
CID 31967410

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide (CID 25295416) is N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide is O=C(CCc1ccc2c(c1)OCO2)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide?
The InChIKey is JVAMWFLEGROFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-15(18-19-16(21)12-5-7-17-8-6-12)4-2-11-1-3-13-14(9-11)23-10-22-13/h1,3,5-9H,2,4,10H2,(H,18,20)(H,19,21).
What are the key properties of N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide?
N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide has a molecular weight of 313.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,3-benzodioxol-5-yl)propanoyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 25295416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).