N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide

C20H17N3O3 — CID 171975434

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide
SMILESO=C(c1ccccn1)N(Cc1ccc2c(c1)OCO2)Nc1ccccc1
InChIInChI=1S/C20H17N3O3/c24-20(17-8-4-5-11-21-17)23(22-16-6-2-1-3-7-16)13-15-9-10-18-19(12-15)26-14-25-18/h1-12,22H,13-14H2
InChIKeyZGJMXNBTPSCOBY-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.48
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide

N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide (PubChem CID 171975434) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide
PubChem CID171975434
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide
SMILESO=C(c1ccccn1)N(Cc1ccc2c(c1)OCO2)Nc1ccccc1
InChIInChI=1S/C20H17N3O3/c24-20(17-8-4-5-11-21-17)23(22-16-6-2-1-3-7-16)13-15-9-10-18-19(12-15)26-14-25-18/h1-12,22H,13-14H2
InChIKeyZGJMXNBTPSCOBY-UHFFFAOYSA-N
XLogP3.48
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
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)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 3206147
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109098063
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086966
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113163231
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 6487075
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212418
N-(1,3-benzodioxol-5-ylmethyl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211009
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
CID 86077029
N-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 95803111
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide (CID 171975434) is N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide is O=C(c1ccccn1)N(Cc1ccc2c(c1)OCO2)Nc1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide?
The InChIKey is ZGJMXNBTPSCOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-20(17-8-4-5-11-21-17)23(22-16-6-2-1-3-7-16)13-15-9-10-18-19(12-15)26-14-25-18/h1-12,22H,13-14H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide has a molecular weight of 347.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide is sourced from PubChem (CID 171975434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).