N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide

C16H19ClN4O — CID 113041532

IUPACN-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NCc2ccccc2Cl)nn1
InChIInChI=1S/C16H19ClN4O/c1-16(2,3)15(22)19-14-9-8-13(20-21-14)18-10-11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyLYNVVMGYHHMTRK-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.73
Rot. Bonds4

About N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide

N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 113041532) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID113041532
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NCc2ccccc2Cl)nn1
InChIInChI=1S/C16H19ClN4O/c1-16(2,3)15(22)19-14-9-8-13(20-21-14)18-10-11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyLYNVVMGYHHMTRK-UHFFFAOYSA-N
XLogP3.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.73
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
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699
6-[(2-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109111563
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119698
6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109119717
6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109115965
6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110410
tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012243

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide (CID 113041532) is N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(NCc2ccccc2Cl)nn1.
What is the InChIKey of N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is LYNVVMGYHHMTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-16(2,3)15(22)19-14-9-8-13(20-21-14)18-10-11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 318.81 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113041532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).