1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea

C18H24N4O2 — CID 75389178

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea
SMILESCN(C)c1cccc(CNC(=O)NCCCc2ccc(O)cc2)n1
InChIInChI=1S/C18H24N4O2/c1-22(2)17-7-3-6-15(21-17)13-20-18(24)19-12-4-5-14-8-10-16(23)11-9-14/h3,6-11,23H,4-5,12-13H2,1-2H3,(H2,19,20,24)
InChIKeyGZRSBHWYGZOGRG-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.29
Rot. Bonds7

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea (PubChem CID 75389178) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea
PubChem CID75389178
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea
SMILESCN(C)c1cccc(CNC(=O)NCCCc2ccc(O)cc2)n1
InChIInChI=1S/C18H24N4O2/c1-22(2)17-7-3-6-15(21-17)13-20-18(24)19-12-4-5-14-8-10-16(23)11-9-14/h3,6-11,23H,4-5,12-13H2,1-2H3,(H2,19,20,24)
InChIKeyGZRSBHWYGZOGRG-UHFFFAOYSA-N
XLogP2.29
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]butanoic acid
CID 122007866
methyl 6-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]hexanoate
CID 75514046
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 71909940
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 109398549
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75388984
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-thiophen-3-ylurea
CID 84593325
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 109399230
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 75388974
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 84589715

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea (CID 75389178) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea is CN(C)c1cccc(CNC(=O)NCCCc2ccc(O)cc2)n1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The InChIKey is GZRSBHWYGZOGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-22(2)17-7-3-6-15(21-17)13-20-18(24)19-12-4-5-14-8-10-16(23)11-9-14/h3,6-11,23H,4-5,12-13H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea is sourced from PubChem (CID 75389178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).