1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea

C17H19N3O — CID 47032533

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H19N3O/c21-17(19-11-9-15-6-1-2-10-18-15)20-16-8-7-13-4-3-5-14(13)12-16/h1-2,6-8,10,12H,3-5,9,11H2,(H2,19,20,21)
InChIKeyRIPWYKMHVPBYKH-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.93
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea

1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea (PubChem CID 47032533) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
PubChem CID47032533
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H19N3O/c21-17(19-11-9-15-6-1-2-10-18-15)20-16-8-7-13-4-3-5-14(13)12-16/h1-2,6-8,10,12H,3-5,9,11H2,(H2,19,20,21)
InChIKeyRIPWYKMHVPBYKH-UHFFFAOYSA-N
XLogP2.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-pyridin-2-ylethyl)urea
CID 75522555
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea
CID 75514707
1-(2,3-dihydro-1H-inden-5-yl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 51118566
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 71991875
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17267646
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 75520831
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60612010
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea (CID 47032533) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea is O=C(NCCc1ccccn1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is RIPWYKMHVPBYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(19-11-9-15-6-1-2-10-18-15)20-16-8-7-13-4-3-5-14(13)12-16/h1-2,6-8,10,12H,3-5,9,11H2,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 281.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 47032533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).