2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone

C14H14ClN3O2 — CID 58256255

IUPAC2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone
SMILESCOc1ccc(C)c(C(=O)CNc2ccc(Cl)nn2)c1
InChIInChI=1S/C14H14ClN3O2/c1-9-3-4-10(20-2)7-11(9)12(19)8-16-14-6-5-13(15)17-18-14/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyRWCHNCQEUIGVEY-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.74
Rot. Bonds5

About 2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone

2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone (PubChem CID 58256255) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone
PubChem CID58256255
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone
SMILESCOc1ccc(C)c(C(=O)CNc2ccc(Cl)nn2)c1
InChIInChI=1S/C14H14ClN3O2/c1-9-3-4-10(20-2)7-11(9)12(19)8-16-14-6-5-13(15)17-18-14/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyRWCHNCQEUIGVEY-UHFFFAOYSA-N
XLogP2.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide
CID 115608605
2-methoxy-1-(5-methoxy-2-methylphenyl)ethanone
CID 19880580
3-bromo-1-(5-methoxy-2-methylphenyl)propan-1-one
CID 135743351
2-[2-chloro-4-(methylamino)pyrimidin-5-yl]oxy-1-(5-methoxy-2-methylphenyl)ethanone
CID 118237969
2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid
CID 43465654
1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
CID 95447653
1-(5-methoxy-2-methylphenyl)-3-propan-2-ylsulfanylpropan-1-one
CID 82050632
2-[4-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]-5-methoxybenzoic acid
CID 90846519
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate
CID 113044195
4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid
CID 103153775
N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048194

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone (CID 58256255) is 2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone is COc1ccc(C)c(C(=O)CNc2ccc(Cl)nn2)c1.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone?
The InChIKey is RWCHNCQEUIGVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-3-4-10(20-2)7-11(9)12(19)8-16-14-6-5-13(15)17-18-14/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of 2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone?
2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone has a molecular weight of 291.74 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone is sourced from PubChem (CID 58256255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).