2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

C20H22N6O2 — CID 122288837

IUPAC2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCCNc2ccc(Nc3ccccn3)nn2)c1
InChIInChI=1S/C20H22N6O2/c1-15-5-4-6-16(13-15)28-14-20(27)23-12-11-22-18-8-9-19(26-25-18)24-17-7-2-3-10-21-17/h2-10,13H,11-12,14H2,1H3,(H,22,25)(H,23,27)(H,21,24,26)
InChIKeyVJELRHJRHCBFPX-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.53
Rot. Bonds9

About 2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 122288837) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
PubChem CID122288837
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCCNc2ccc(Nc3ccccn3)nn2)c1
InChIInChI=1S/C20H22N6O2/c1-15-5-4-6-16(13-15)28-14-20(27)23-12-11-22-18-8-9-19(26-25-18)24-17-7-2-3-10-21-17/h2-10,13H,11-12,14H2,1H3,(H,22,25)(H,23,27)(H,21,24,26)
InChIKeyVJELRHJRHCBFPX-UHFFFAOYSA-N
XLogP2.53
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenoxyacetamide
CID 122315365
2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288891
2-methoxy-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314926
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531
2-(2-chlorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288805
2-(2-fluorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288882
1-naphthalen-2-yl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064948
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064834
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (CID 122288837) is 2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is Cc1cccc(OCC(=O)NCCNc2ccc(Nc3ccccn3)nn2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The InChIKey is VJELRHJRHCBFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-15-5-4-6-16(13-15)28-14-20(27)23-12-11-22-18-8-9-19(26-25-18)24-17-7-2-3-10-21-17/h2-10,13H,11-12,14H2,1H3,(H,22,25)(H,23,27)(H,21,24,26).
What are the key properties of 2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.53, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122288837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).