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

C17H19N3O2 — CID 110895671

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
SMILESO=C(NCCc1cccnc1)NC1c2ccccc2CC1O
InChIInChI=1S/C17H19N3O2/c21-15-10-13-5-1-2-6-14(13)16(15)20-17(22)19-9-7-12-4-3-8-18-11-12/h1-6,8,11,15-16,21H,7,9-10H2,(H2,19,20,22)
InChIKeySFCZKXLQMYMHAA-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.58
Rot. Bonds4

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

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea (PubChem CID 110895671) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
PubChem CID110895671
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
SMILESO=C(NCCc1cccnc1)NC1c2ccccc2CC1O
InChIInChI=1S/C17H19N3O2/c21-15-10-13-5-1-2-6-14(13)16(15)20-17(22)19-9-7-12-4-3-8-18-11-12/h1-6,8,11,15-16,21H,7,9-10H2,(H2,19,20,22)
InChIKeySFCZKXLQMYMHAA-UHFFFAOYSA-N
XLogP1.58
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-pyridin-3-ylpropanamide
CID 103816944
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-3-ylacetamide
CID 62690720
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide
CID 103860604
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895027
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111507774
2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea
CID 110929163
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 51092798
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea (CID 110895671) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea is O=C(NCCc1cccnc1)NC1c2ccccc2CC1O.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is SFCZKXLQMYMHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-15-10-13-5-1-2-6-14(13)16(15)20-17(22)19-9-7-12-4-3-8-18-11-12/h1-6,8,11,15-16,21H,7,9-10H2,(H2,19,20,22).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea?
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 297.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 110895671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).