1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea

C18H24N6O — CID 127337250

IUPAC1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
SMILESCc1ccc(N2CCCC(NC(=O)NC(C)c3ccccn3)C2)nn1
InChIInChI=1S/C18H24N6O/c1-13-8-9-17(23-22-13)24-11-5-6-15(12-24)21-18(25)20-14(2)16-7-3-4-10-19-16/h3-4,7-10,14-15H,5-6,11-12H2,1-2H3,(H2,20,21,25)
InChIKeyOQWQPKZSEHHJLO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.21
Rot. Bonds4

About 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea (PubChem CID 127337250) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
PubChem CID127337250
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
SMILESCc1ccc(N2CCCC(NC(=O)NC(C)c3ccccn3)C2)nn1
InChIInChI=1S/C18H24N6O/c1-13-8-9-17(23-22-13)24-11-5-6-15(12-24)21-18(25)20-14(2)16-7-3-4-10-19-16/h3-4,7-10,14-15H,5-6,11-12H2,1-2H3,(H2,20,21,25)
InChIKeyOQWQPKZSEHHJLO-UHFFFAOYSA-N
XLogP2.21
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)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

N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide
CID 122139210
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 51983822
(3R)-3-acetamido-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
CID 95152686
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 98761227
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94148998
3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide
CID 136521831
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 95598503
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea (CID 127337250) is 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea is Cc1ccc(N2CCCC(NC(=O)NC(C)c3ccccn3)C2)nn1.
What is the InChIKey of 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is OQWQPKZSEHHJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-8-9-17(23-22-13)24-11-5-6-15(12-24)21-18(25)20-14(2)16-7-3-4-10-19-16/h3-4,7-10,14-15H,5-6,11-12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea?
1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 340.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 127337250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).