1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea

C19H23N3O3 — CID 51092808

IUPAC1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCC(C)Oc1ncccc1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C19H23N3O3/c1-12(2)25-18-14(7-5-9-20-18)11-21-19(24)22-17-15-8-4-3-6-13(15)10-16(17)23/h3-9,12,16-17,23H,10-11H2,1-2H3,(H2,21,22,24)/t16-,17+/m0/s1
InChIKeyVODBENVKXAXZNR-DLBZAZTESA-N
MW341.41 g/mol
LogP2.33
Rot. Bonds5

About 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea (PubChem CID 51092808) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
PubChem CID51092808
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCC(C)Oc1ncccc1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C19H23N3O3/c1-12(2)25-18-14(7-5-9-20-18)11-21-19(24)22-17-15-8-4-3-6-13(15)10-16(17)23/h3-9,12,16-17,23H,10-11H2,1-2H3,(H2,21,22,24)/t16-,17+/m0/s1
InChIKeyVODBENVKXAXZNR-DLBZAZTESA-N
XLogP2.33
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea (CID 51092808) is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea is CC(C)Oc1ncccc1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The InChIKey is VODBENVKXAXZNR-DLBZAZTESA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12(2)25-18-14(7-5-9-20-18)11-21-19(24)22-17-15-8-4-3-6-13(15)10-16(17)23/h3-9,12,16-17,23H,10-11H2,1-2H3,(H2,21,22,24)/t16-,17+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea has a molecular weight of 341.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 51092808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).