methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate

C17H18N2O4 — CID 133490320

IUPACmethyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1OC
InChIInChI=1S/C17H18N2O4/c1-22-16-12(17(21)23-2)7-8-14(19-16)18-15-11-6-4-3-5-10(11)9-13(15)20/h3-8,13,15,20H,9H2,1-2H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyJTUXMKDLXVKHQB-DZGCQCFKSA-N
MW314.34 g/mol
LogP1.95
Rot. Bonds4

About methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate

methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate (PubChem CID 133490320) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
PubChem CID133490320
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1OC
InChIInChI=1S/C17H18N2O4/c1-22-16-12(17(21)23-2)7-8-14(19-16)18-15-11-6-4-3-5-10(11)9-13(15)20/h3-8,13,15,20H,9H2,1-2H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyJTUXMKDLXVKHQB-DZGCQCFKSA-N
XLogP1.95
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 133488083
methyl 3-(2,4-dichlorophenyl)-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrazine-2-carboxylate
CID 58583361
(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 71982317
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
CID 100899920
6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile
CID 133392135
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
methyl 8-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate
CID 69114654
1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 136580568
(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 162630957
1-[(5,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133489747

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate (CID 133490320) is methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate is COC(=O)c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1OC.
What is the InChIKey of methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate?
The InChIKey is JTUXMKDLXVKHQB-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-16-12(17(21)23-2)7-8-14(19-16)18-15-11-6-4-3-5-10(11)9-13(15)20/h3-8,13,15,20H,9H2,1-2H3,(H,18,19)/t13-,15+/m0/s1.
What are the key properties of methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate?
methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133490320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).