6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide

C14H14ClN3O — CID 61041212

IUPAC6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(Cl)nn1)c1ccccc1
InChIInChI=1S/C14H14ClN3O/c1-10(11-5-3-2-4-6-11)9-16-14(19)12-7-8-13(15)18-17-12/h2-8,10H,9H2,1H3,(H,16,19)
InChIKeyVJHPSBDBZPHYIO-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.66
Rot. Bonds4

About 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide

6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide (PubChem CID 61041212) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide
PubChem CID61041212
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide
SMILESCC(CNC(=O)c1ccc(Cl)nn1)c1ccccc1
InChIInChI=1S/C14H14ClN3O/c1-10(11-5-3-2-4-6-11)9-16-14(19)12-7-8-13(15)18-17-12/h2-8,10H,9H2,1H3,(H,16,19)
InChIKeyVJHPSBDBZPHYIO-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide (CID 61041212) is 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide is CC(CNC(=O)c1ccc(Cl)nn1)c1ccccc1.
What is the InChIKey of 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide?
The InChIKey is VJHPSBDBZPHYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10(11-5-3-2-4-6-11)9-16-14(19)12-7-8-13(15)18-17-12/h2-8,10H,9H2,1H3,(H,16,19).
What are the key properties of 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide?
6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 61041212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).