1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea

C18H24N6O — CID 138018829

IUPAC1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea
SMILESCC(Cc1cccnc1)NC(=O)NC1CCN(c2cccnn2)CC1
InChIInChI=1S/C18H24N6O/c1-14(12-15-4-2-8-19-13-15)21-18(25)22-16-6-10-24(11-7-16)17-5-3-9-20-23-17/h2-5,8-9,13-14,16H,6-7,10-12H2,1H3,(H2,21,22,25)
InChIKeyJWQVLYZQPKNPCR-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.77
Rot. Bonds5

About 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea

1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea (PubChem CID 138018829) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea
PubChem CID138018829
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea
SMILESCC(Cc1cccnc1)NC(=O)NC1CCN(c2cccnn2)CC1
InChIInChI=1S/C18H24N6O/c1-14(12-15-4-2-8-19-13-15)21-18(25)22-16-6-10-24(11-7-16)17-5-3-9-20-23-17/h2-5,8-9,13-14,16H,6-7,10-12H2,1H3,(H2,21,22,25)
InChIKeyJWQVLYZQPKNPCR-UHFFFAOYSA-N
XLogP1.77
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-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-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide
CID 143220536
N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide
CID 126771166
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94171475
N-[1-(1H-imidazol-5-yl)ethyl]-1-pyridazin-3-ylpiperidin-4-amine
CID 146144942
1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea
CID 154736160
1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 154739654
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
3-[4-(chloromethyl)piperidin-1-yl]pyridazine
CID 63390374
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
CID 126443700
(2S)-2-(cyclohexylcarbamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348870

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea?
The IUPAC name of 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea (CID 138018829) is 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea?
The canonical SMILES for 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea is CC(Cc1cccnc1)NC(=O)NC1CCN(c2cccnn2)CC1.
What is the InChIKey of 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea?
The InChIKey is JWQVLYZQPKNPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-14(12-15-4-2-8-19-13-15)21-18(25)22-16-6-10-24(11-7-16)17-5-3-9-20-23-17/h2-5,8-9,13-14,16H,6-7,10-12H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea?
1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea has a molecular weight of 340.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridazin-3-ylpiperidin-4-yl)-3-(1-pyridin-3-ylpropan-2-yl)urea is sourced from PubChem (CID 138018829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).