1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea

C19H21N7O2 — CID 42111951

IUPAC1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
SMILESCOc1ccccc1NC(=O)NCCNc1ccc(Nc2ccncc2)nn1
InChIInChI=1S/C19H21N7O2/c1-28-16-5-3-2-4-15(16)24-19(27)22-13-12-21-17-6-7-18(26-25-17)23-14-8-10-20-11-9-14/h2-11H,12-13H2,1H3,(H,21,25)(H,20,23,26)(H2,22,24,27)
InChIKeyGATGZBXRJATGSA-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.86
Rot. Bonds8

About 1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea

1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea (PubChem CID 42111951) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
PubChem CID42111951
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
SMILESCOc1ccccc1NC(=O)NCCNc1ccc(Nc2ccncc2)nn1
InChIInChI=1S/C19H21N7O2/c1-28-16-5-3-2-4-15(16)24-19(27)22-13-12-21-17-6-7-18(26-25-17)23-14-8-10-20-11-9-14/h2-11H,12-13H2,1H3,(H,21,25)(H,20,23,26)(H2,22,24,27)
InChIKeyGATGZBXRJATGSA-UHFFFAOYSA-N
XLogP2.86
TPSA113.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359
1-(3,5-dimethylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065114
1-(3-chlorophenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065102
3-fluoro-4-methoxy-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289154
1-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122289048
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-(2-methoxyphenyl)-3-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]urea
CID 122315423
3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56699027
2-(4-fluorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065151
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064857

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea (CID 42111951) is 1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea is COc1ccccc1NC(=O)NCCNc1ccc(Nc2ccncc2)nn1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea?
The InChIKey is GATGZBXRJATGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-28-16-5-3-2-4-15(16)24-19(27)22-13-12-21-17-6-7-18(26-25-17)23-14-8-10-20-11-9-14/h2-11H,12-13H2,1H3,(H,21,25)(H,20,23,26)(H2,22,24,27).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea?
1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea has a molecular weight of 379.42 g/mol, XLogP of 2.86, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea is sourced from PubChem (CID 42111951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).