1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea

C24H27N5O — CID 70694146

IUPAC1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C24H27N5O/c30-24(26-21-9-12-25-13-10-21)27-22-6-4-5-20(19-22)11-14-28-15-17-29(18-16-28)23-7-2-1-3-8-23/h1-10,12-13,19H,11,14-18H2,(H2,25,26,27,30)
InChIKeyNXQBRORDMXGPPG-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.09
Rot. Bonds6

About 1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea

1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea (PubChem CID 70694146) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
PubChem CID70694146
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C24H27N5O/c30-24(26-21-9-12-25-13-10-21)27-22-6-4-5-20(19-22)11-14-28-15-17-29(18-16-28)23-7-2-1-3-8-23/h1-10,12-13,19H,11,14-18H2,(H2,25,26,27,30)
InChIKeyNXQBRORDMXGPPG-UHFFFAOYSA-N
XLogP4.09
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Omecamtiv Mecarbil
CID 11689883
PF-750
CID 25154868
1,3-Di-6-quinolylurea
CID 68281
2,2'-((Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl)bis(methylene))bis(N,N-dimethylbenzenamine)
CID 421610
N-Arylpiperazine-1-carboxamide Derivative, 15
CID 11575794
2-{4-[4-(3-Trifluoromethylphenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11584530
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(4-pyridin-3-ylphenyl)urea
CID 122180050
N-(3-methylphenyl)-N'-4-pyridinylurea
CID 6469540
1-(4-Methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-Isoquinolin-5-yl-3-{[4-(piperidin-1-yl)phenyl]methyl}urea
CID 16749133
1-Isoquinolin-5-yl-3-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}urea
CID 16749136
N,N-Diethyl-2-[2-oxo-5-pyridin-2-yl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetamide
CID 10323637

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea (CID 70694146) is 1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea?
The InChIKey is NXQBRORDMXGPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c30-24(26-21-9-12-25-13-10-21)27-22-6-4-5-20(19-22)11-14-28-15-17-29(18-16-28)23-7-2-1-3-8-23/h1-10,12-13,19H,11,14-18H2,(H2,25,26,27,30).
What are the key properties of 1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea?
1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea has a molecular weight of 401.51 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 70694146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).