methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate

C16H16N2O2 — CID 160567230

IUPACmethyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate
SMILESCOC(=O)c1cccc2c1CN(c1ccc(C)cn1)C2
InChIInChI=1S/C16H16N2O2/c1-11-6-7-15(17-8-11)18-9-12-4-3-5-13(14(12)10-18)16(19)20-2/h3-8H,9-10H2,1-2H3
InChIKeySVSXMVBIHLYBRX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.70
Rot. Bonds2

About methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate

methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate (PubChem CID 160567230) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate
PubChem CID160567230
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate
SMILESCOC(=O)c1cccc2c1CN(c1ccc(C)cn1)C2
InChIInChI=1S/C16H16N2O2/c1-11-6-7-15(17-8-11)18-9-12-4-3-5-13(14(12)10-18)16(19)20-2/h3-8H,9-10H2,1-2H3
InChIKeySVSXMVBIHLYBRX-UHFFFAOYSA-N
XLogP2.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
methyl 3-(hydroxymethyl)-4-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 67094663
methyl 2-(2-methylbut-3-yn-2-yl)-1,3-dihydroisoindole-4-carboxylate
CID 118283015
ethane;methyl (2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 144929756
(8-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-methylborinic acid
CID 153426119
methyl 2-[5-bromo-6-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate
CID 145098397
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
CID 3870610
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide
CID 133450361
2-O-tert-butyl 8-O-methyl 3,4-dihydro-1H-isoquinoline-2,8-dicarboxylate
CID 118798471
methyl 2-(5-propan-2-yl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate
CID 136557671

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate?
The IUPAC name of methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate (CID 160567230) is methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate.
What is the SMILES notation for methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate?
The canonical SMILES for methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate is COC(=O)c1cccc2c1CN(c1ccc(C)cn1)C2.
What is the InChIKey of methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate?
The InChIKey is SVSXMVBIHLYBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-6-7-15(17-8-11)18-9-12-4-3-5-13(14(12)10-18)16(19)20-2/h3-8H,9-10H2,1-2H3.
What are the key properties of methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate?
methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-2-pyridinyl)-1,3-dihydroisoindole-4-carboxylate is sourced from PubChem (CID 160567230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).