1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea

C18H25N5O2 — CID 122132883

IUPAC1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea
SMILESCOc1ccc(C(CN(C)C)NC(=O)Nc2cc(C)c(C)nn2)cc1
InChIInChI=1S/C18H25N5O2/c1-12-10-17(22-21-13(12)2)20-18(24)19-16(11-23(3)4)14-6-8-15(25-5)9-7-14/h6-10,16H,11H2,1-5H3,(H2,19,20,22,24)
InChIKeyOMHKUHSMKPLEIL-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.53
Rot. Bonds6

About 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea

1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea (PubChem CID 122132883) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea
PubChem CID122132883
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea
SMILESCOc1ccc(C(CN(C)C)NC(=O)Nc2cc(C)c(C)nn2)cc1
InChIInChI=1S/C18H25N5O2/c1-12-10-17(22-21-13(12)2)20-18(24)19-16(11-23(3)4)14-6-8-15(25-5)9-7-14/h6-10,16H,11H2,1-5H3,(H2,19,20,22,24)
InChIKeyOMHKUHSMKPLEIL-UHFFFAOYSA-N
XLogP2.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea
CID 124845688
1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea
CID 129486430
methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate
CID 97185103
N-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 167766652
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024674
1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea
CID 125141657
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea
CID 97185687
1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 95289623
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
2-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133200186

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea (CID 122132883) is 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea is COc1ccc(C(CN(C)C)NC(=O)Nc2cc(C)c(C)nn2)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea?
The InChIKey is OMHKUHSMKPLEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-10-17(22-21-13(12)2)20-18(24)19-16(11-23(3)4)14-6-8-15(25-5)9-7-14/h6-10,16H,11H2,1-5H3,(H2,19,20,22,24).
What are the key properties of 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea?
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea is sourced from PubChem (CID 122132883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).