2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride

C15H20Cl2N4O2 — CID 119894521

IUPAC2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(Oc2cccnn2)c1.Cl.Cl
InChIInChI=1S/C15H18N4O2.2ClH/c1-11(10-16-2)15(20)18-12-5-3-6-13(9-12)21-14-7-4-8-17-19-14;;/h3-9,11,16H,10H2,1-2H3,(H,18,20);2*1H
InChIKeySQOIGVPSNQLARU-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.91
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride (PubChem CID 119894521) has the molecular formula C15H20Cl2N4O2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride
PubChem CID119894521
Molecular FormulaC15H20Cl2N4O2
Molecular Weight359.26 g/mol
Exact Mass358.10
IUPAC Name2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(Oc2cccnn2)c1.Cl.Cl
InChIInChI=1S/C15H18N4O2.2ClH/c1-11(10-16-2)15(20)18-12-5-3-6-13(9-12)21-14-7-4-8-17-19-14;;/h3-9,11,16H,10H2,1-2H3,(H,18,20);2*1H
InChIKeySQOIGVPSNQLARU-UHFFFAOYSA-N
XLogP2.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide
CID 119894522
2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
CID 120801133
2-methyl-3-(methylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846173
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide
CID 71975946
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119894501
4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide
CID 119894528
2-methyl-3-(methylamino)-N-(3-methylsulfanylphenyl)propanamide;hydrochloride
CID 119671136
1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 99813723
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 166194550

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride (CID 119894521) is 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1cccc(Oc2cccnn2)c1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride?
The InChIKey is SQOIGVPSNQLARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.2ClH/c1-11(10-16-2)15(20)18-12-5-3-6-13(9-12)21-14-7-4-8-17-19-14;;/h3-9,11,16H,10H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride is sourced from PubChem (CID 119894521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).