1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea

C16H14N4O3 — CID 24664385

IUPAC1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea
SMILESCN1C(=O)c2ccc(NC(=O)NCc3ccccn3)cc2C1=O
InChIInChI=1S/C16H14N4O3/c1-20-14(21)12-6-5-10(8-13(12)15(20)22)19-16(23)18-9-11-4-2-3-7-17-11/h2-8H,9H2,1H3,(H2,18,19,23)
InChIKeyLLHWEXLAGAVVGR-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.63
Rot. Bonds3

About 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea

1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 24664385) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea
PubChem CID24664385
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea
SMILESCN1C(=O)c2ccc(NC(=O)NCc3ccccn3)cc2C1=O
InChIInChI=1S/C16H14N4O3/c1-20-14(21)12-6-5-10(8-13(12)15(20)22)19-16(23)18-9-11-4-2-3-7-17-11/h2-8H,9H2,1H3,(H2,18,19,23)
InChIKeyLLHWEXLAGAVVGR-UHFFFAOYSA-N
XLogP1.63
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(pyridin-2-ylmethyl)urea
CID 108872536
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 51114936
1-[4-(7-chloro-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]-3-(pyridin-2-ylmethyl)urea
CID 163768668
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
1-(6-pyrazol-1-yl-3-pyridinyl)-3-(pyridin-2-ylmethyl)urea
CID 47040705
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191402
1-(1,2,3-benzothiadiazol-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 71583724
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
1-benzyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872101
N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide
CID 99839674

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea (CID 24664385) is 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea is CN1C(=O)c2ccc(NC(=O)NCc3ccccn3)cc2C1=O.
What is the InChIKey of 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is LLHWEXLAGAVVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-20-14(21)12-6-5-10(8-13(12)15(20)22)19-16(23)18-9-11-4-2-3-7-17-11/h2-8H,9H2,1H3,(H2,18,19,23).
What are the key properties of 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea?
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 310.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 24664385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).