1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea

C20H25N3O2 — CID 97034691

IUPAC1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)N(CCCO)[C@@H]2CCc3ccccc32)n1
InChIInChI=1S/C20H25N3O2/c1-15-6-4-8-17(22-15)14-21-20(25)23(12-5-13-24)19-11-10-16-7-2-3-9-18(16)19/h2-4,6-9,19,24H,5,10-14H2,1H3,(H,21,25)/t19-/m1/s1
InChIKeyXGFLWOIOJQGITG-LJQANCHMSA-N
MW339.44 g/mol
LogP2.97
Rot. Bonds6

About 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea (PubChem CID 97034691) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
PubChem CID97034691
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)N(CCCO)[C@@H]2CCc3ccccc32)n1
InChIInChI=1S/C20H25N3O2/c1-15-6-4-8-17(22-15)14-21-20(25)23(12-5-13-24)19-11-10-16-7-2-3-9-18(16)19/h2-4,6-9,19,24H,5,10-14H2,1H3,(H,21,25)/t19-/m1/s1
InChIKeyXGFLWOIOJQGITG-LJQANCHMSA-N
XLogP2.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-(2-hydroxyethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111794044
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(2-methylfuran-3-yl)methyl]urea
CID 97034829
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(4-methylphenyl)urea
CID 111347466
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(2-phenylethyl)urea
CID 111383096
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793383
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea
CID 95769864
4-[[[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]methyl]benzoic acid
CID 122020246
1-(3-hydroxypropyl)-3-[(1-methylimidazol-2-yl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97075881
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-2-ylurea
CID 97083594
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)urea
CID 95769860

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea (CID 97034691) is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea is Cc1cccc(CNC(=O)N(CCCO)[C@@H]2CCc3ccccc32)n1.
What is the InChIKey of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
The InChIKey is XGFLWOIOJQGITG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-6-4-8-17(22-15)14-21-20(25)23(12-5-13-24)19-11-10-16-7-2-3-9-18(16)19/h2-4,6-9,19,24H,5,10-14H2,1H3,(H,21,25)/t19-/m1/s1.
What are the key properties of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 97034691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).