1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea

C17H19N3O — CID 29039496

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccncc1
InChIInChI=1S/C17H19N3O/c1-12(13-7-9-18-10-8-13)19-17(21)20-16-6-5-14-3-2-4-15(14)11-16/h5-12H,2-4H2,1H3,(H2,19,20,21)/t12-/m0/s1
InChIKeyLHFPXEAPFWXSMT-LBPRGKRZSA-N
MW281.36 g/mol
LogP3.45
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea (PubChem CID 29039496) 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-[(1S)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
PubChem CID29039496
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccncc1
InChIInChI=1S/C17H19N3O/c1-12(13-7-9-18-10-8-13)19-17(21)20-16-6-5-14-3-2-4-15(14)11-16/h5-12H,2-4H2,1H3,(H2,19,20,21)/t12-/m0/s1
InChIKeyLHFPXEAPFWXSMT-LBPRGKRZSA-N
XLogP3.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.45
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-(3,4-dimethylphenyl)ethyl]urea
CID 28914051
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-propylphenyl)ethyl]urea
CID 29057331
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 45147279
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868681
1-(4-bromophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108869222
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 61183883
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea
CID 29057333
1-(3-chloro-4-piperidin-1-ylphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95686874
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea (CID 29039496) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea is C[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccncc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
The InChIKey is LHFPXEAPFWXSMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(13-7-9-18-10-8-13)19-17(21)20-16-6-5-14-3-2-4-15(14)11-16/h5-12H,2-4H2,1H3,(H2,19,20,21)/t12-/m0/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea has a molecular weight of 281.36 g/mol, XLogP of 3.45, 3 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-[(1S)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 29039496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).