methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate

C16H18N2O2 — CID 134933961

IUPACmethyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(C)C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H18N2O2/c1-18-10-11(16(19)20-2)7-8-15(18)13-9-17-14-6-4-3-5-12(13)14/h3-6,9-10,15,17H,7-8H2,1-2H3
InChIKeyNLANLNMDJILERP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.99
Rot. Bonds2

About methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate

methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate (PubChem CID 134933961) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
PubChem CID134933961
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(C)C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H18N2O2/c1-18-10-11(16(19)20-2)7-8-15(18)13-9-17-14-6-4-3-5-12(13)14/h3-6,9-10,15,17H,7-8H2,1-2H3
InChIKeyNLANLNMDJILERP-UHFFFAOYSA-N
XLogP2.99
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 3-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1H-indole-6-carboxylate
CID 138974121
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 129394382
methyl 2-[(2S,3R,4S)-2-(1H-indol-3-yl)-1,3-dimethylpiperidin-4-yl]acetate
CID 14863910
methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate
CID 56634055
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
2-(1H-indole-3-carbonyl)-3-methyl-1,2-dihydroimidazole-5-carboxylic acid
CID 156795910
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate (CID 134933961) is methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=CN(C)C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is NLANLNMDJILERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18-10-11(16(19)20-2)7-8-15(18)13-9-17-14-6-4-3-5-12(13)14/h3-6,9-10,15,17H,7-8H2,1-2H3.
What are the key properties of methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate?
methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 134933961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).