N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide

C19H20N4O3 — CID 133325201

IUPACN-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCc2c(cccc2N2CCOC2=O)C1
InChIInChI=1S/C19H20N4O3/c1-20-18(24)15-5-3-8-21-17(15)22-9-7-14-13(12-22)4-2-6-16(14)23-10-11-26-19(23)25/h2-6,8H,7,9-12H2,1H3,(H,20,24)
InChIKeyXQYZWUSLLIIBCR-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.96
Rot. Bonds3

About N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide

N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide (PubChem CID 133325201) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide
PubChem CID133325201
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCc2c(cccc2N2CCOC2=O)C1
InChIInChI=1S/C19H20N4O3/c1-20-18(24)15-5-3-8-21-17(15)22-9-7-14-13(12-22)4-2-6-16(14)23-10-11-26-19(23)25/h2-6,8H,7,9-12H2,1H3,(H,20,24)
InChIKeyXQYZWUSLLIIBCR-UHFFFAOYSA-N
XLogP1.96
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide (CID 133325201) is N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCc2c(cccc2N2CCOC2=O)C1.
What is the InChIKey of N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide?
The InChIKey is XQYZWUSLLIIBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-20-18(24)15-5-3-8-21-17(15)22-9-7-14-13(12-22)4-2-6-16(14)23-10-11-26-19(23)25/h2-6,8H,7,9-12H2,1H3,(H,20,24).
What are the key properties of N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide?
N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133325201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).