N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide

C18H18N2O3 — CID 122559880

IUPACN-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide
SMILESCOCC(NC(=O)c1cccc2c1CCC2=O)c1ccccn1
InChIInChI=1S/C18H18N2O3/c1-23-11-16(15-7-2-3-10-19-15)20-18(22)14-6-4-5-13-12(14)8-9-17(13)21/h2-7,10,16H,8-9,11H2,1H3,(H,20,22)
InChIKeyGERXAMPPBBVGPL-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.33
Rot. Bonds5

About N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide

N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide (PubChem CID 122559880) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide
PubChem CID122559880
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide
SMILESCOCC(NC(=O)c1cccc2c1CCC2=O)c1ccccn1
InChIInChI=1S/C18H18N2O3/c1-23-11-16(15-7-2-3-10-19-15)20-18(22)14-6-4-5-13-12(14)8-9-17(13)21/h2-7,10,16H,8-9,11H2,1H3,(H,20,22)
InChIKeyGERXAMPPBBVGPL-UHFFFAOYSA-N
XLogP2.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
CID 125437016
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
2-ethylsulfanyl-N-(2-methoxy-1-pyridin-2-ylethyl)acetamide
CID 122556683
cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284882
2-phenyl-N-[(1R)-1-pyridin-2-ylpropyl]benzamide
CID 95191323
3-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 154848001
1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 91776945
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrrole-2-carboxamide
CID 122557901
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide
CID 122562645
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide?
The IUPAC name of N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide (CID 122559880) is N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide?
The canonical SMILES for N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide is COCC(NC(=O)c1cccc2c1CCC2=O)c1ccccn1.
What is the InChIKey of N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide?
The InChIKey is GERXAMPPBBVGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-11-16(15-7-2-3-10-19-15)20-18(22)14-6-4-5-13-12(14)8-9-17(13)21/h2-7,10,16H,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide?
N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-pyridin-2-ylethyl)-1-oxo-2,3-dihydroindene-4-carboxamide is sourced from PubChem (CID 122559880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).