3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea

C19H23N3O2 — CID 97226906

IUPAC3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
SMILESO=C(N[C@@H]1CCc2ccccc21)N(CCCO)Cc1ccncc1
InChIInChI=1S/C19H23N3O2/c23-13-3-12-22(14-15-8-10-20-11-9-15)19(24)21-18-7-6-16-4-1-2-5-17(16)18/h1-2,4-5,8-11,18,23H,3,6-7,12-14H2,(H,21,24)/t18-/m1/s1
InChIKeyPMYNCFRTACSEPS-GOSISDBHSA-N
MW325.41 g/mol
LogP2.66
Rot. Bonds6

About 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea

3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea (PubChem CID 97226906) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
PubChem CID97226906
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
SMILESO=C(N[C@@H]1CCc2ccccc21)N(CCCO)Cc1ccncc1
InChIInChI=1S/C19H23N3O2/c23-13-3-12-22(14-15-8-10-20-11-9-15)19(24)21-18-7-6-16-4-1-2-5-17(16)18/h1-2,4-5,8-11,18,23H,3,6-7,12-14H2,(H,21,24)/t18-/m1/s1
InChIKeyPMYNCFRTACSEPS-GOSISDBHSA-N
XLogP2.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea
CID 97226968
(1S)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 97329073
3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424123
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea
CID 95769864
1-benzyl-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)urea
CID 110894883
3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-ethyl-1-(furan-3-ylmethyl)urea
CID 95160392
3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 71974542
1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea
CID 75429933
1-benzyl-1-(2-hydroxyethyl)-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913070
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 99959246
1-cyano-3-(2,3-dihydro-1H-inden-1-yl)-1-sulfanylurea
CID 57031420
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(2-phenylethyl)urea
CID 111383096

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea (CID 97226906) is 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea is O=C(N[C@@H]1CCc2ccccc21)N(CCCO)Cc1ccncc1.
What is the InChIKey of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea?
The InChIKey is PMYNCFRTACSEPS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-13-3-12-22(14-15-8-10-20-11-9-15)19(24)21-18-7-6-16-4-1-2-5-17(16)18/h1-2,4-5,8-11,18,23H,3,6-7,12-14H2,(H,21,24)/t18-/m1/s1.
What are the key properties of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea?
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea has a molecular weight of 325.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 97226906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).