1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea

C19H26N4O — CID 60591438

IUPAC1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
SMILESCCN(CC)CCN(Cc1ccccc1)C(=O)Nc1cccnc1
InChIInChI=1S/C19H26N4O/c1-3-22(4-2)13-14-23(16-17-9-6-5-7-10-17)19(24)21-18-11-8-12-20-15-18/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,21,24)
InChIKeyCGAXQUWGHVVRMC-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.46
Rot. Bonds8

About 1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea

1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea (PubChem CID 60591438) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
PubChem CID60591438
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
SMILESCCN(CC)CCN(Cc1ccccc1)C(=O)Nc1cccnc1
InChIInChI=1S/C19H26N4O/c1-3-22(4-2)13-14-23(16-17-9-6-5-7-10-17)19(24)21-18-11-8-12-20-15-18/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,21,24)
InChIKeyCGAXQUWGHVVRMC-UHFFFAOYSA-N
XLogP3.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 61187084
1-[(4-methylphenyl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 5147202
1-benzyl-3-phenyl-1-propylurea
CID 78786424
1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea
CID 111121985
1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
1-phenyl-1-propyl-3-pyridin-3-ylurea
CID 30845452
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
CID 47333747
1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
CID 47815542
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea (CID 60591438) is 1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea is CCN(CC)CCN(Cc1ccccc1)C(=O)Nc1cccnc1.
What is the InChIKey of 1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea?
The InChIKey is CGAXQUWGHVVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-22(4-2)13-14-23(16-17-9-6-5-7-10-17)19(24)21-18-11-8-12-20-15-18/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,21,24).
What are the key properties of 1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea?
1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea has a molecular weight of 326.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 60591438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).