3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea

C18H24N4O2 — CID 111102179

IUPAC3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCN(C)Cc1cccc(NC(=O)N(CCO)Cc2cccnc2)c1
InChIInChI=1S/C18H24N4O2/c1-21(2)13-15-5-3-7-17(11-15)20-18(24)22(9-10-23)14-16-6-4-8-19-12-16/h3-8,11-12,23H,9-10,13-14H2,1-2H3,(H,20,24)
InChIKeyINNHQLOEQDWHRA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.17
Rot. Bonds7

About 3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea

3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 111102179) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID111102179
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCN(C)Cc1cccc(NC(=O)N(CCO)Cc2cccnc2)c1
InChIInChI=1S/C18H24N4O2/c1-21(2)13-15-5-3-7-17(11-15)20-18(24)22(9-10-23)14-16-6-4-8-19-12-16/h3-8,11-12,23H,9-10,13-14H2,1-2H3,(H,20,24)
InChIKeyINNHQLOEQDWHRA-UHFFFAOYSA-N
XLogP2.17
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea
CID 56826368
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010
3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
1-[2-(dimethylamino)ethyl]-3-(9H-fluoren-2-yl)-1-(pyridin-3-ylmethyl)urea
CID 87009139
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 87008900
1-(2-hydroxyethyl)-1-(2-phenylethyl)-3-pyridin-3-ylurea
CID 111121985
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
CID 47815542
1-(pyridin-3-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121085047
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
1-[(4-methylphenyl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 5147202

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea (CID 111102179) is 3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea is CN(C)Cc1cccc(NC(=O)N(CCO)Cc2cccnc2)c1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is INNHQLOEQDWHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(2)13-15-5-3-7-17(11-15)20-18(24)22(9-10-23)14-16-6-4-8-19-12-16/h3-8,11-12,23H,9-10,13-14H2,1-2H3,(H,20,24).
What are the key properties of 3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea?
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 328.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 111102179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).