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

C15H18N4O2 — CID 119894522

IUPAC2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(Oc2cccnn2)c1
InChIInChI=1S/C15H18N4O2/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)
InChIKeyUFYRXCLOOBAYPR-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.06
Rot. Bonds6

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

2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide (PubChem CID 119894522) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide
PubChem CID119894522
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(Oc2cccnn2)c1
InChIInChI=1S/C15H18N4O2/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)
InChIKeyUFYRXCLOOBAYPR-UHFFFAOYSA-N
XLogP2.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride
CID 119894521
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
2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide
CID 71975946
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide
CID 119894528
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
(3S)-N-(3-pyridazin-3-yloxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 124607438
3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119894501

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide (CID 119894522) is 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide is CNCC(C)C(=O)Nc1cccc(Oc2cccnn2)c1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide?
The InChIKey is UFYRXCLOOBAYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/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).
What are the key properties of 2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide?
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide has a molecular weight of 286.34 g/mol, XLogP of 2.06, 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 is sourced from PubChem (CID 119894522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).