6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane

C19H38ClN3O3 — CID 143019170

IUPAC6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane
SMILESCC.CC.CC.CC.COCC(=O)N(C)N(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3O3.4C2H6/c1-14(10(16)7-18-3)15(2)11(17)8-4-5-9(12)13-6-8;4*1-2/h4-6H,7H2,1-3H3;4*1-2H3
InChIKeyQWJDLFYEVWWVCQ-UHFFFAOYSA-N
MW391.98 g/mol
LogP4.93
Rot. Bonds3

About 6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane

6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane (PubChem CID 143019170) has the molecular formula C19H38ClN3O3 and a molecular weight of 391.98 g/mol. Its IUPAC name is 6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane.

Molecular Properties

Compound Name6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane
PubChem CID143019170
Molecular FormulaC19H38ClN3O3
Molecular Weight391.98 g/mol
Exact Mass391.26
IUPAC Name6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane
SMILESCC.CC.CC.CC.COCC(=O)N(C)N(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3O3.4C2H6/c1-14(10(16)7-18-3)15(2)11(17)8-4-5-9(12)13-6-8;4*1-2/h4-6H,7H2,1-3H3;4*1-2H3
InChIKeyQWJDLFYEVWWVCQ-UHFFFAOYSA-N
XLogP4.93
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.98
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane?
The IUPAC name of 6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane (CID 143019170) is 6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane.
What is the SMILES notation for 6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane?
The canonical SMILES for 6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane is CC.CC.CC.CC.COCC(=O)N(C)N(C)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane?
The InChIKey is QWJDLFYEVWWVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3.4C2H6/c1-14(10(16)7-18-3)15(2)11(17)8-4-5-9(12)13-6-8;4*1-2/h4-6H,7H2,1-3H3;4*1-2H3.
What are the key properties of 6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane?
6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane has a molecular weight of 391.98 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-(2-methoxyacetyl)-N,N'-dimethylpyridine-3-carbohydrazide;ethane is sourced from PubChem (CID 143019170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).