ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine

C19H24N4O — CID 169176012

IUPACethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine
SMILESCC.Cc1ccc(NC=O)cc1-c1cccnn1.[H][H].c1ccncc1
InChIInChI=1S/C12H11N3O.C5H5N.C2H6.H2/c1-9-4-5-10(13-8-16)7-11(9)12-3-2-6-14-15-12;1-2-4-6-5-3-1;1-2;/h2-8H,1H3,(H,13,16);1-5H;1-2H3;1H
InChIKeyHQOIMJAQUOHTLD-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.37
Rot. Bonds3

About ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine

ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine (PubChem CID 169176012) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine.

Molecular Properties

Compound Nameethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine
PubChem CID169176012
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Nameethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine
SMILESCC.Cc1ccc(NC=O)cc1-c1cccnn1.[H][H].c1ccncc1
InChIInChI=1S/C12H11N3O.C5H5N.C2H6.H2/c1-9-4-5-10(13-8-16)7-11(9)12-3-2-6-14-15-12;1-2-4-6-5-3-1;1-2;/h2-8H,1H3,(H,13,16);1-5H;1-2H3;1H
InChIKeyHQOIMJAQUOHTLD-UHFFFAOYSA-N
XLogP4.37
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine?
The IUPAC name of ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine (CID 169176012) is ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine.
What is the SMILES notation for ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine?
The canonical SMILES for ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine is CC.Cc1ccc(NC=O)cc1-c1cccnn1.[H][H].c1ccncc1.
What is the InChIKey of ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine?
The InChIKey is HQOIMJAQUOHTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O.C5H5N.C2H6.H2/c1-9-4-5-10(13-8-16)7-11(9)12-3-2-6-14-15-12;1-2-4-6-5-3-1;1-2;/h2-8H,1H3,(H,13,16);1-5H;1-2H3;1H.
What are the key properties of ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine?
ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine has a molecular weight of 324.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine is sourced from PubChem (CID 169176012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).