6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide

C17H20N4O3 — CID 35701839

IUPAC6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(N(C)C)nc2)cc1
InChIInChI=1S/C17H20N4O3/c1-4-24-14-8-5-12(6-9-14)16(22)19-20-17(23)13-7-10-15(18-11-13)21(2)3/h5-11H,4H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyBDYRCRNNFVNTCF-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.62
Rot. Bonds5

About 6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide

6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide (PubChem CID 35701839) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide
PubChem CID35701839
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(N(C)C)nc2)cc1
InChIInChI=1S/C17H20N4O3/c1-4-24-14-8-5-12(6-9-14)16(22)19-20-17(23)13-7-10-15(18-11-13)21(2)3/h5-11H,4H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyBDYRCRNNFVNTCF-UHFFFAOYSA-N
XLogP1.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of 6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide (CID 35701839) is 6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for 6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(N(C)C)nc2)cc1.
What is the InChIKey of 6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide?
The InChIKey is BDYRCRNNFVNTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-24-14-8-5-12(6-9-14)16(22)19-20-17(23)13-7-10-15(18-11-13)21(2)3/h5-11H,4H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide?
6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide has a molecular weight of 328.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 35701839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).