1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea

C17H19Cl2N5O — CID 78833294

IUPAC1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
SMILESCN1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cn2)CC1
InChIInChI=1S/C17H19Cl2N5O/c1-23-6-8-24(9-7-23)16-5-3-13(11-20-16)21-17(25)22-15-4-2-12(18)10-14(15)19/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25)
InChIKeyLAKBZLNDWVRFOA-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.78
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea

1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea (PubChem CID 78833294) has the molecular formula C17H19Cl2N5O and a molecular weight of 380.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
PubChem CID78833294
Molecular FormulaC17H19Cl2N5O
Molecular Weight380.28 g/mol
Exact Mass379.10
IUPAC Name1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
SMILESCN1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cn2)CC1
InChIInChI=1S/C17H19Cl2N5O/c1-23-6-8-24(9-7-23)16-5-3-13(11-20-16)21-17(25)22-15-4-2-12(18)10-14(15)19/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25)
InChIKeyLAKBZLNDWVRFOA-UHFFFAOYSA-N
XLogP3.78
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278402
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
1-(2-chlorophenyl)-3-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 83290375
2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 17459411
1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 37049250
1-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-(2,4-difluorophenyl)urea
CID 42850132
1-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(4-methoxyphenyl)urea
CID 46053585
N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 59108390
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
N-(2,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152594
1-[6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-(2,5-dimethylphenyl)urea
CID 42857231
1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea
CID 142206299

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea (CID 78833294) is 1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea is CN1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cn2)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea?
The InChIKey is LAKBZLNDWVRFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O/c1-23-6-8-24(9-7-23)16-5-3-13(11-20-16)21-17(25)22-15-4-2-12(18)10-14(15)19/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea?
1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea has a molecular weight of 380.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea is sourced from PubChem (CID 78833294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).