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

C19H25N5O — CID 71930298

IUPAC1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccncc1
InChIInChI=1S/C19H25N5O/c1-22(19(25)21-17-7-9-20-10-8-17)11-12-23-13-15-24(16-14-23)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,20,21,25)
InChIKeyCUDYWEDXAQFTOZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.37
Rot. Bonds5

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

1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea (PubChem CID 71930298) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea
PubChem CID71930298
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccncc1
InChIInChI=1S/C19H25N5O/c1-22(19(25)21-17-7-9-20-10-8-17)11-12-23-13-15-24(16-14-23)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,20,21,25)
InChIKeyCUDYWEDXAQFTOZ-UHFFFAOYSA-N
XLogP2.37
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea (CID 71930298) is 1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea is CN(CCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccncc1.
What is the InChIKey of 1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea?
The InChIKey is CUDYWEDXAQFTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22(19(25)21-17-7-9-20-10-8-17)11-12-23-13-15-24(16-14-23)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,20,21,25).
What are the key properties of 1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea?
1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea has a molecular weight of 339.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 71930298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).