methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate

C16H16N2O3 — CID 175363690

IUPACmethyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CC=CN(C2C(=O)N(C)c3ccccc32)C1
InChIInChI=1S/C16H16N2O3/c1-17-13-8-4-3-7-12(13)14(15(17)19)18-9-5-6-11(10-18)16(20)21-2/h3-9,14H,10H2,1-2H3
InChIKeyYJPDYLCNYVTVNP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.63
Rot. Bonds2

About methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate

methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate (PubChem CID 175363690) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate
PubChem CID175363690
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CC=CN(C2C(=O)N(C)c3ccccc32)C1
InChIInChI=1S/C16H16N2O3/c1-17-13-8-4-3-7-12(13)14(15(17)19)18-9-5-6-11(10-18)16(20)21-2/h3-9,14H,10H2,1-2H3
InChIKeyYJPDYLCNYVTVNP-UHFFFAOYSA-N
XLogP1.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate?
The IUPAC name of methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate (CID 175363690) is methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate?
The canonical SMILES for methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate is COC(=O)C1=CC=CN(C2C(=O)N(C)c3ccccc32)C1.
What is the InChIKey of methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate?
The InChIKey is YJPDYLCNYVTVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-13-8-4-3-7-12(13)14(15(17)19)18-9-5-6-11(10-18)16(20)21-2/h3-9,14H,10H2,1-2H3.
What are the key properties of methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate?
methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methyl-2-oxo-3H-indol-3-yl)-2H-pyridine-3-carboxylate is sourced from PubChem (CID 175363690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).