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

C20H25N3O2 — CID 97226968

IUPAC1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(CCCO)Cc1ccncc1
InChIInChI=1S/C20H25N3O2/c1-15-13-17-5-2-3-6-18(17)19(15)22-20(25)23(11-4-12-24)14-16-7-9-21-10-8-16/h2-3,5-10,15,19,24H,4,11-14H2,1H3,(H,22,25)/t15-,19-/m1/s1
InChIKeyJLRTYKGGRNOUDZ-DNVCBOLYSA-N
MW339.44 g/mol
LogP2.91
Rot. Bonds6

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

1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea (PubChem CID 97226968) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea
PubChem CID97226968
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(CCCO)Cc1ccncc1
InChIInChI=1S/C20H25N3O2/c1-15-13-17-5-2-3-6-18(17)19(15)22-20(25)23(11-4-12-24)14-16-7-9-21-10-8-16/h2-3,5-10,15,19,24H,4,11-14H2,1H3,(H,22,25)/t15-,19-/m1/s1
InChIKeyJLRTYKGGRNOUDZ-DNVCBOLYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 97226906
3-[(1S)-cyclohex-2-en-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 97084993
(1S)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 97329073
3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 71974542
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111506246
1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea
CID 75429933
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
N-ethyl-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113339452
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea
CID 95769864
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea (CID 97226968) is 1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea is C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(CCCO)Cc1ccncc1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea?
The InChIKey is JLRTYKGGRNOUDZ-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-13-17-5-2-3-6-18(17)19(15)22-20(25)23(11-4-12-24)14-16-7-9-21-10-8-16/h2-3,5-10,15,19,24H,4,11-14H2,1H3,(H,22,25)/t15-,19-/m1/s1.
What are the key properties of 1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea?
1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea has a molecular weight of 339.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 97226968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).