1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea

C23H27N5O2S — CID 42857743

IUPAC1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(N2CCN(Cc3ccsc3)CC2)nc1
InChIInChI=1S/C23H27N5O2S/c1-2-30-21-6-4-3-5-20(21)26-23(29)25-19-7-8-22(24-15-19)28-12-10-27(11-13-28)16-18-9-14-31-17-18/h3-9,14-15,17H,2,10-13,16H2,1H3,(H2,25,26,29)
InChIKeySMOURMXGGMEEJP-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.51
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea

1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea (PubChem CID 42857743) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea
PubChem CID42857743
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(N2CCN(Cc3ccsc3)CC2)nc1
InChIInChI=1S/C23H27N5O2S/c1-2-30-21-6-4-3-5-20(21)26-23(29)25-19-7-8-22(24-15-19)28-12-10-27(11-13-28)16-18-9-14-31-17-18/h3-9,14-15,17H,2,10-13,16H2,1H3,(H2,25,26,29)
InChIKeySMOURMXGGMEEJP-UHFFFAOYSA-N
XLogP4.51
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea with MolForge

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Related Compounds

1-(2-ethoxyphenyl)-3-[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]urea
CID 42857738
1-(4-methoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea
CID 42857732
4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 69448676
2,4-difluoro-N-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857471
N-(2-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154747
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate
CID 69454140
N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17499670
1-(2,4-difluorophenyl)-3-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 42857775
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide
CID 42857339

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea (CID 42857743) is 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea is CCOc1ccccc1NC(=O)Nc1ccc(N2CCN(Cc3ccsc3)CC2)nc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea?
The InChIKey is SMOURMXGGMEEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-2-30-21-6-4-3-5-20(21)26-23(29)25-19-7-8-22(24-15-19)28-12-10-27(11-13-28)16-18-9-14-31-17-18/h3-9,14-15,17H,2,10-13,16H2,1H3,(H2,25,26,29).
What are the key properties of 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea?
1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea has a molecular weight of 437.57 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea is sourced from PubChem (CID 42857743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).