1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea

C17H21N5O — CID 122143487

IUPAC1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea
SMILESCN1CCC(NC(=O)Nc2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C17H21N5O/c1-22-11-9-14(10-12-22)18-17(23)19-16-8-7-15(20-21-16)13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H2,18,19,21,23)
InChIKeyKBYYYFOKYAZPOW-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.36
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea

1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea (PubChem CID 122143487) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea
PubChem CID122143487
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea
SMILESCN1CCC(NC(=O)Nc2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C17H21N5O/c1-22-11-9-14(10-12-22)18-17(23)19-16-8-7-15(20-21-16)13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H2,18,19,21,23)
InChIKeyKBYYYFOKYAZPOW-UHFFFAOYSA-N
XLogP2.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea
CID 99716112
1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
CID 113041212
(2R)-2-acetamido-2-cyclopentyl-N-(6-phenylpyridazin-3-yl)acetamide
CID 97027786
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea
CID 167793464
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
N-cyclopropyl-6-phenylpyridazine-3-carboxamide
CID 113200511
N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
CID 54045835
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea (CID 122143487) is 1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea is CN1CCC(NC(=O)Nc2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea?
The InChIKey is KBYYYFOKYAZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-22-11-9-14(10-12-22)18-17(23)19-16-8-7-15(20-21-16)13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H2,18,19,21,23).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea?
1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea has a molecular weight of 311.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea is sourced from PubChem (CID 122143487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).