2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide

C17H14ClN5O — CID 142788638

IUPAC2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide
SMILESCc1cc(C(C(N)=O)c2ccc(-c3cccnn3)cn2)cnc1Cl
InChIInChI=1S/C17H14ClN5O/c1-10-7-12(9-21-16(10)18)15(17(19)24)14-5-4-11(8-20-14)13-3-2-6-22-23-13/h2-9,15H,1H3,(H2,19,24)
InChIKeyTZNVJXLDRGYXTQ-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.51
Rot. Bonds4

About 2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide

2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide (PubChem CID 142788638) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide
PubChem CID142788638
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide
SMILESCc1cc(C(C(N)=O)c2ccc(-c3cccnn3)cn2)cnc1Cl
InChIInChI=1S/C17H14ClN5O/c1-10-7-12(9-21-16(10)18)15(17(19)24)14-5-4-11(8-20-14)13-3-2-6-22-23-13/h2-9,15H,1H3,(H2,19,24)
InChIKeyTZNVJXLDRGYXTQ-UHFFFAOYSA-N
XLogP2.51
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol
CID 131124378
N-(5-pyridazin-3-yl-2-pyridinyl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
CID 58447927
(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid
CID 172530060
2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 166005870
2-phenyl-2-(2-phenyl-4-pyridinyl)acetamide
CID 69129483
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154
2-[3-(2-methyl-4-pyridinyl)phenyl]-2-(6-pyrazin-2-yl-3-pyridinyl)acetamide
CID 142788571
2-[5-(4-chlorophenyl)pyrazin-2-yl]propanamide
CID 21413243
3-methyl-6-[6-(6-methyl-3-pyridinyl)-3-pyridinyl]pyridazine
CID 118345277
3-(2,4,6-trimethylphenyl)pyridazine
CID 67379258
2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide (CID 142788638) is 2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide is Cc1cc(C(C(N)=O)c2ccc(-c3cccnn3)cn2)cnc1Cl.
What is the InChIKey of 2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
The InChIKey is TZNVJXLDRGYXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-10-7-12(9-21-16(10)18)15(17(19)24)14-5-4-11(8-20-14)13-3-2-6-22-23-13/h2-9,15H,1H3,(H2,19,24).
What are the key properties of 2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide?
2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide has a molecular weight of 339.79 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-3-pyridinyl)-2-(5-pyridazin-3-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 142788638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).