3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea

C18H23FN4O — CID 86837574

IUPAC3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea
SMILESCN(CCc1ccc(F)cc1)C(=O)NCc1ccnc(N(C)C)c1
InChIInChI=1S/C18H23FN4O/c1-22(2)17-12-15(8-10-20-17)13-21-18(24)23(3)11-9-14-4-6-16(19)7-5-14/h4-8,10,12H,9,11,13H2,1-3H3,(H,21,24)
InChIKeyYIJOLQIZTLMBQS-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.67
Rot. Bonds6

About 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea

3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea (PubChem CID 86837574) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea
PubChem CID86837574
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea
SMILESCN(CCc1ccc(F)cc1)C(=O)NCc1ccnc(N(C)C)c1
InChIInChI=1S/C18H23FN4O/c1-22(2)17-12-15(8-10-20-17)13-21-18(24)23(3)11-9-14-4-6-16(19)7-5-14/h4-8,10,12H,9,11,13H2,1-3H3,(H,21,24)
InChIKeyYIJOLQIZTLMBQS-UHFFFAOYSA-N
XLogP2.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111230177
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[(4-fluorophenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111307553
2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide
CID 47028145
4-N-[(4-fluorophenyl)methyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109086492
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177
1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896144
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109172598
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
CID 47028147
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030945
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 51082981
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111972368
6-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea (CID 86837574) is 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea is CN(CCc1ccc(F)cc1)C(=O)NCc1ccnc(N(C)C)c1.
What is the InChIKey of 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is YIJOLQIZTLMBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-22(2)17-12-15(8-10-20-17)13-21-18(24)23(3)11-9-14-4-6-16(19)7-5-14/h4-8,10,12H,9,11,13H2,1-3H3,(H,21,24).
What are the key properties of 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea?
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 330.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 86837574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).