1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C17H19N3O2 — CID 75523399

IUPAC1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1cc(C)nc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIInChI=1S/C17H19N3O2/c1-10-7-11(2)18-15(8-10)19-17(22)20-16-13-6-4-3-5-12(13)9-14(16)21/h3-8,14,16,21H,9H2,1-2H3,(H2,18,19,20,22)/t14-,16+/m0/s1
InChIKeyLHTGWQNWWHVSIA-GOEBONIOSA-N
MW297.36 g/mol
LogP2.48
Rot. Bonds2

About 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 75523399) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID75523399
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1cc(C)nc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIInChI=1S/C17H19N3O2/c1-10-7-11(2)18-15(8-10)19-17(22)20-16-13-6-4-3-5-12(13)9-14(16)21/h3-8,14,16,21H,9H2,1-2H3,(H2,18,19,20,22)/t14-,16+/m0/s1
InChIKeyLHTGWQNWWHVSIA-GOEBONIOSA-N
XLogP2.48
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea with MolForge

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Related Compounds

1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 111798540
1-(4-bromo-2,6-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 52860459
1-(2-ethoxy-4-methylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110908005
1-(4,6-dimethyl-2-pyridinyl)-3-(4-hydroxycyclohexyl)urea
CID 75523358
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-phenylpyridazin-3-yl)urea
CID 99716112
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 75920789
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 136580514

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 75523399) is 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is Cc1cc(C)nc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is LHTGWQNWWHVSIA-GOEBONIOSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10-7-11(2)18-15(8-10)19-17(22)20-16-13-6-4-3-5-12(13)9-14(16)21/h3-8,14,16,21H,9H2,1-2H3,(H2,18,19,20,22)/t14-,16+/m0/s1.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 297.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 75523399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).