methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate

C18H26N2O3 — CID 100685192

IUPACmethyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)nc1C
InChIInChI=1S/C18H26N2O3/c1-12-13(18(22)23-2)9-10-17(19-12)20-11-5-7-15(20)14-6-3-4-8-16(14)21/h9-10,14-16,21H,3-8,11H2,1-2H3/t14-,15+,16-/m0/s1
InChIKeyYEAAVAOEWCWALW-XHSDSOJGSA-N
MW318.42 g/mol
LogP2.70
Rot. Bonds3

About methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate

methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate (PubChem CID 100685192) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
PubChem CID100685192
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)nc1C
InChIInChI=1S/C18H26N2O3/c1-12-13(18(22)23-2)9-10-17(19-12)20-11-5-7-15(20)14-6-3-4-8-16(14)21/h9-10,14-16,21H,3-8,11H2,1-2H3/t14-,15+,16-/m0/s1
InChIKeyYEAAVAOEWCWALW-XHSDSOJGSA-N
XLogP2.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351
methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate
CID 133420753
methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545
methyl 6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridine-3-carboxylate
CID 133421125
methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 124861805
methyl 2-methyl-6-[(2S,3R,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 124861807
methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
CID 133391396
methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 133491968
cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129491924
4-(5-methoxycarbonyl-6-methyl-2-pyridinyl)thiomorpholine-3-carboxylic acid
CID 82904565
methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
CID 133465271

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate (CID 100685192) is methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)nc1C.
What is the InChIKey of methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate?
The InChIKey is YEAAVAOEWCWALW-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-13(18(22)23-2)9-10-17(19-12)20-11-5-7-15(20)14-6-3-4-8-16(14)21/h9-10,14-16,21H,3-8,11H2,1-2H3/t14-,15+,16-/m0/s1.
What are the key properties of methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate?
methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 100685192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).