1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea

C18H21N3O2 — CID 95769864

IUPAC1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)N(CCCO)[C@H]1CCc2ccccc21
InChIInChI=1S/C18H21N3O2/c22-13-3-12-21(18(23)20-15-8-10-19-11-9-15)17-7-6-14-4-1-2-5-16(14)17/h1-2,4-5,8-11,17,22H,3,6-7,12-13H2,(H,19,20,23)/t17-/m0/s1
InChIKeyRIZKLFPVSRZZII-KRWDZBQOSA-N
MW311.38 g/mol
LogP2.99
Rot. Bonds5

About 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea

1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea (PubChem CID 95769864) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea
PubChem CID95769864
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)N(CCCO)[C@H]1CCc2ccccc21
InChIInChI=1S/C18H21N3O2/c22-13-3-12-21(18(23)20-15-8-10-19-11-9-15)17-7-6-14-4-1-2-5-16(14)17/h1-2,4-5,8-11,17,22H,3,6-7,12-13H2,(H,19,20,23)/t17-/m0/s1
InChIKeyRIZKLFPVSRZZII-KRWDZBQOSA-N
XLogP2.99
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(4-methylphenyl)urea
CID 111347466
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
3-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111347453
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-(2-hydroxyethyl)-3-(3-nitrophenyl)urea
CID 71931096
3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42697000
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97034691
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
CID 111790468
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 97226906

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea (CID 95769864) is 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea is O=C(Nc1ccncc1)N(CCCO)[C@H]1CCc2ccccc21.
What is the InChIKey of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea?
The InChIKey is RIZKLFPVSRZZII-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-13-3-12-21(18(23)20-15-8-10-19-11-9-15)17-7-6-14-4-1-2-5-16(14)17/h1-2,4-5,8-11,17,22H,3,6-7,12-13H2,(H,19,20,23)/t17-/m0/s1.
What are the key properties of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea?
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea has a molecular weight of 311.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 95769864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).