1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea

C21H22N6O — CID 113029595

IUPAC1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C21H22N6O/c28-21(24-17-6-2-1-3-7-17)25-19-10-9-18(16-23-19)26-12-14-27(15-13-26)20-8-4-5-11-22-20/h1-11,16H,12-15H2,(H2,23,24,25,28)
InChIKeyWGOUMOCBSWAWBL-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.45
Rot. Bonds4

About 1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea

1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea (PubChem CID 113029595) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea
PubChem CID113029595
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C21H22N6O/c28-21(24-17-6-2-1-3-7-17)25-19-10-9-18(16-23-19)26-12-14-27(15-13-26)20-8-4-5-11-22-20/h1-11,16H,12-15H2,(H2,23,24,25,28)
InChIKeyWGOUMOCBSWAWBL-UHFFFAOYSA-N
XLogP3.45
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113028774
4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029575
2-(2-fluorophenyl)-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]acetamide
CID 113029590
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
N-phenyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978927
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715
1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea
CID 113014511
5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide
CID 115488135

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea?
The IUPAC name of 1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea (CID 113029595) is 1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea is O=C(Nc1ccccc1)Nc1ccc(N2CCN(c3ccccn3)CC2)cn1.
What is the InChIKey of 1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea?
The InChIKey is WGOUMOCBSWAWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21(24-17-6-2-1-3-7-17)25-19-10-9-18(16-23-19)26-12-14-27(15-13-26)20-8-4-5-11-22-20/h1-11,16H,12-15H2,(H2,23,24,25,28).
What are the key properties of 1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea?
1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea has a molecular weight of 374.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea is sourced from PubChem (CID 113029595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).