1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea

C19H24N4O2 — CID 51092809

IUPAC1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea
SMILESCc1ccc(NCCCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nc1
InChIInChI=1S/C19H24N4O2/c1-13-7-8-17(22-12-13)20-9-4-10-21-19(25)23-18-15-6-3-2-5-14(15)11-16(18)24/h2-3,5-8,12,16,18,24H,4,9-11H2,1H3,(H,20,22)(H2,21,23,25)/t16-,18+/m0/s1
InChIKeyJWJMJUWPKBPMFB-FUHWJXTLSA-N
MW340.43 g/mol
LogP2.15
Rot. Bonds6

About 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea (PubChem CID 51092809) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea
PubChem CID51092809
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea
SMILESCc1ccc(NCCCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nc1
InChIInChI=1S/C19H24N4O2/c1-13-7-8-17(22-12-13)20-9-4-10-21-19(25)23-18-15-6-3-2-5-14(15)11-16(18)24/h2-3,5-8,12,16,18,24H,4,9-11H2,1H3,(H,20,22)(H2,21,23,25)/t16-,18+/m0/s1
InChIKeyJWJMJUWPKBPMFB-FUHWJXTLSA-N
XLogP2.15
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea
CID 51957688
N-[2-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoylamino]ethyl]-4-methylbenzamide
CID 136525095
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111508356
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111507774
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[methyl(methylsulfonyl)amino]propyl]urea
CID 51092812
1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923399
1-[2-[butyl(methyl)amino]ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111121310
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 110904213
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea
CID 110929163
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
CID 110895671

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea?
The IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea (CID 51092809) is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea?
The canonical SMILES for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea is Cc1ccc(NCCCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nc1.
What is the InChIKey of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea?
The InChIKey is JWJMJUWPKBPMFB-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-7-8-17(22-12-13)20-9-4-10-21-19(25)23-18-15-6-3-2-5-14(15)11-16(18)24/h2-3,5-8,12,16,18,24H,4,9-11H2,1H3,(H,20,22)(H2,21,23,25)/t16-,18+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea?
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 4 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-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea is sourced from PubChem (CID 51092809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).