1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea

C20H25FN6O2 — CID 56511706

IUPAC1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
SMILESCN(C)c1ccc(C(=O)N2CCCC(CNC(=O)Nc3cccc(F)c3)C2)nn1
InChIInChI=1S/C20H25FN6O2/c1-26(2)18-9-8-17(24-25-18)19(28)27-10-4-5-14(13-27)12-22-20(29)23-16-7-3-6-15(21)11-16/h3,6-9,11,14H,4-5,10,12-13H2,1-2H3,(H2,22,23,29)
InChIKeySWHQBCDNENMULL-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.36
Rot. Bonds5

About 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea

1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea (PubChem CID 56511706) has the molecular formula C20H25FN6O2 and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
PubChem CID56511706
Molecular FormulaC20H25FN6O2
Molecular Weight400.46 g/mol
Exact Mass400.20
IUPAC Name1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
SMILESCN(C)c1ccc(C(=O)N2CCCC(CNC(=O)Nc3cccc(F)c3)C2)nn1
InChIInChI=1S/C20H25FN6O2/c1-26(2)18-9-8-17(24-25-18)19(28)27-10-4-5-14(13-27)12-22-20(29)23-16-7-3-6-15(21)11-16/h3,6-9,11,14H,4-5,10,12-13H2,1-2H3,(H2,22,23,29)
InChIKeySWHQBCDNENMULL-UHFFFAOYSA-N
XLogP2.36
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea with MolForge

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Related Compounds

ethyl 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 56503550
1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56504447
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119310869
1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56503165
1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
1-(3-fluorophenyl)-3-[[1-(4-pyrazol-1-ylbenzoyl)piperidin-3-yl]methyl]urea
CID 56503800
1-[[1-(3-aminobutanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119761814
1-[[1-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56509303
1-(3-fluorophenyl)-3-[[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]methyl]urea
CID 56503675

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea (CID 56511706) is 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea is CN(C)c1ccc(C(=O)N2CCCC(CNC(=O)Nc3cccc(F)c3)C2)nn1.
What is the InChIKey of 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
The InChIKey is SWHQBCDNENMULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O2/c1-26(2)18-9-8-17(24-25-18)19(28)27-10-4-5-14(13-27)12-22-20(29)23-16-7-3-6-15(21)11-16/h3,6-9,11,14H,4-5,10,12-13H2,1-2H3,(H2,22,23,29).
What are the key properties of 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea has a molecular weight of 400.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 56511706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).