1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea

C18H22ClN5O — CID 171491859

IUPAC1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea
SMILESCc1ccc(NC(=O)Nc2ccccc2Cl)nc1N1CCN(C)CC1
InChIInChI=1S/C18H22ClN5O/c1-13-7-8-16(21-17(13)24-11-9-23(2)10-12-24)22-18(25)20-15-6-4-3-5-14(15)19/h3-8H,9-12H2,1-2H3,(H2,20,21,22,25)
InChIKeyNMVOOJFZSRLIQQ-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.44
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea

1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea (PubChem CID 171491859) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea
PubChem CID171491859
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea
SMILESCc1ccc(NC(=O)Nc2ccccc2Cl)nc1N1CCN(C)CC1
InChIInChI=1S/C18H22ClN5O/c1-13-7-8-16(21-17(13)24-11-9-23(2)10-12-24)22-18(25)20-15-6-4-3-5-14(15)19/h3-8H,9-12H2,1-2H3,(H2,20,21,22,25)
InChIKeyNMVOOJFZSRLIQQ-UHFFFAOYSA-N
XLogP3.44
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea (CID 171491859) is 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea is Cc1ccc(NC(=O)Nc2ccccc2Cl)nc1N1CCN(C)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea?
The InChIKey is NMVOOJFZSRLIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-13-7-8-16(21-17(13)24-11-9-23(2)10-12-24)22-18(25)20-15-6-4-3-5-14(15)19/h3-8H,9-12H2,1-2H3,(H2,20,21,22,25).
What are the key properties of 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea?
1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea has a molecular weight of 359.86 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]urea is sourced from PubChem (CID 171491859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).