N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide

C16H19ClN4O — CID 113041597

IUPACN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H19ClN4O/c1-2-3-4-16(22)19-15-10-9-14(20-21-15)18-11-12-5-7-13(17)8-6-12/h5-10H,2-4,11H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyIUIAFQVJEDMYMS-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.87
Rot. Bonds7

About N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide

N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide (PubChem CID 113041597) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide
PubChem CID113041597
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H19ClN4O/c1-2-3-4-16(22)19-15-10-9-14(20-21-15)18-11-12-5-7-13(17)8-6-12/h5-10H,2-4,11H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyIUIAFQVJEDMYMS-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide
CID 113041528
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041596
N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide
CID 113038177
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113041630
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119838
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide (CID 113041597) is N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide is CCCCC(=O)Nc1ccc(NCc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide?
The InChIKey is IUIAFQVJEDMYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-2-3-4-16(22)19-15-10-9-14(20-21-15)18-11-12-5-7-13(17)8-6-12/h5-10H,2-4,11H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide?
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide has a molecular weight of 318.81 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide is sourced from PubChem (CID 113041597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).