1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea

C15H15N3O — CID 17250078

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H15N3O/c19-15(17-13-6-8-16-9-7-13)18-14-5-4-11-2-1-3-12(11)10-14/h4-10H,1-3H2,(H2,16,17,18,19)
InChIKeySYDCDUCGROHIGA-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.21
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea

1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea (PubChem CID 17250078) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
PubChem CID17250078
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H15N3O/c19-15(17-13-6-8-16-9-7-13)18-14-5-4-11-2-1-3-12(11)10-14/h4-10H,1-3H2,(H2,16,17,18,19)
InChIKeySYDCDUCGROHIGA-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride
CID 44529387
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46384296
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17267646

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea (CID 17250078) is 1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea?
The InChIKey is SYDCDUCGROHIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(17-13-6-8-16-9-7-13)18-14-5-4-11-2-1-3-12(11)10-14/h4-10H,1-3H2,(H2,16,17,18,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea?
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea has a molecular weight of 253.31 g/mol, XLogP of 3.21, 2 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-pyridin-4-ylurea is sourced from PubChem (CID 17250078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).