1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea

C19H25ClN6O — CID 165119846

IUPAC1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea
SMILESCc1cc(CNC(=O)N(C)[C@@H]2CCCN(c3cc(N)cnn3)C2)ccc1Cl
InChIInChI=1S/C19H25ClN6O/c1-13-8-14(5-6-17(13)20)10-22-19(27)25(2)16-4-3-7-26(12-16)18-9-15(21)11-23-24-18/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H2,21,24)(H,22,27)/t16-/m1/s1
InChIKeyVIKKQSASNOHCQE-MRXNPFEDSA-N
MW388.90 g/mol
LogP2.83
Rot. Bonds4

About 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea

1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea (PubChem CID 165119846) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea
PubChem CID165119846
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC Name1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea
SMILESCc1cc(CNC(=O)N(C)[C@@H]2CCCN(c3cc(N)cnn3)C2)ccc1Cl
InChIInChI=1S/C19H25ClN6O/c1-13-8-14(5-6-17(13)20)10-22-19(27)25(2)16-4-3-7-26(12-16)18-9-15(21)11-23-24-18/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H2,21,24)(H,22,27)/t16-/m1/s1
InChIKeyVIKKQSASNOHCQE-MRXNPFEDSA-N
XLogP2.83
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea 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

3-[(4-chloro-3-methylphenyl)methyl]-1-methyl-1-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]urea
CID 165119795
3-[(3,4-dimethylphenyl)methyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 174344195
1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea
CID 165119877
3-[(4-chloro-3-methylphenyl)methyl]-1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylurea
CID 165119491
3-[(4-chloro-3-methylphenyl)methyl]-1-methyl-1-[(3R)-1-(1,3-oxazole-4-carbonyl)piperidin-3-yl]urea
CID 165119985
3-[(4-chloro-3-methylphenyl)methyl]-1-methyl-1-[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]urea
CID 165119644
6-[(3R)-3-[[(1S,2R)-2-(4-chloro-3-methylphenyl)cyclopropyl]carbamoyl-methylamino]piperidin-1-yl]pyridazine-4-carboxylic acid
CID 165119757
3-[(3,4-difluorophenyl)methyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119679
3-[(4-chloro-3-methylphenyl)methyl]-1-methyl-1-[(3R)-1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-3-yl]urea
CID 174344318
3-[(4-chloro-3-methylphenyl)methyl]-1-[(3R,4S)-4-methoxy-1-pyridazin-3-ylpiperidin-3-yl]-1-methylurea
CID 165119742
3-[(2-fluoro-5-methylphenyl)methyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 174344336
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119866

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea (CID 165119846) is 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea is Cc1cc(CNC(=O)N(C)[C@@H]2CCCN(c3cc(N)cnn3)C2)ccc1Cl.
What is the InChIKey of 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea?
The InChIKey is VIKKQSASNOHCQE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25ClN6O/c1-13-8-14(5-6-17(13)20)10-22-19(27)25(2)16-4-3-7-26(12-16)18-9-15(21)11-23-24-18/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H2,21,24)(H,22,27)/t16-/m1/s1.
What are the key properties of 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea?
1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea has a molecular weight of 388.90 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea is sourced from PubChem (CID 165119846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).