3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea

C18H21N3O — CID 119046233

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)Nc2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C18H21N3O/c1-13-6-8-17(19-11-13)12-21(2)18(22)20-16-9-7-14-4-3-5-15(14)10-16/h6-11H,3-5,12H2,1-2H3,(H,20,22)
InChIKeySQDDRLJIBNZJHI-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.54
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea

3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea (PubChem CID 119046233) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea
PubChem CID119046233
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)Nc2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C18H21N3O/c1-13-6-8-17(19-11-13)12-21(2)18(22)20-16-9-7-14-4-3-5-15(14)10-16/h6-11H,3-5,12H2,1-2H3,(H,20,22)
InChIKeySQDDRLJIBNZJHI-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea (CID 119046233) is 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea is Cc1ccc(CN(C)C(=O)Nc2ccc3c(c2)CCC3)nc1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea?
The InChIKey is SQDDRLJIBNZJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-6-8-17(19-11-13)12-21(2)18(22)20-16-9-7-14-4-3-5-15(14)10-16/h6-11H,3-5,12H2,1-2H3,(H,20,22).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea?
3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea has a molecular weight of 295.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 119046233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).