N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide

C20H23N3O3 — CID 89439796

IUPACN-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C20H23N3O3/c1-3-26-9-8-22-20(25)17-11-16(12-21-13-17)14-4-6-18-15(10-14)5-7-19(24)23(18)2/h4,6,10-13H,3,5,7-9H2,1-2H3,(H,22,25)
InChIKeyDJQDWJAFJITZRC-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.42
Rot. Bonds6

About N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide

N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide (PubChem CID 89439796) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide
PubChem CID89439796
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C20H23N3O3/c1-3-26-9-8-22-20(25)17-11-16(12-21-13-17)14-4-6-18-15(10-14)5-7-19(24)23(18)2/h4,6,10-13H,3,5,7-9H2,1-2H3,(H,22,25)
InChIKeyDJQDWJAFJITZRC-UHFFFAOYSA-N
XLogP2.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[5-[(2-ethoxyethylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 89439797
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86679151
N,N-dimethyl-5-(1-methyl-2-oxo-3H-indol-5-yl)pyridine-3-carboxamide
CID 66793912
1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 151905560
N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide
CID 146605053
3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
CID 71533637
1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216610
1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146229350
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878
6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 89439862
6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
CID 159930466

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide (CID 89439796) is N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide is CCOCCNC(=O)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide?
The InChIKey is DJQDWJAFJITZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-26-9-8-22-20(25)17-11-16(12-21-13-17)14-4-6-18-15(10-14)5-7-19(24)23(18)2/h4,6,10-13H,3,5,7-9H2,1-2H3,(H,22,25).
What are the key properties of N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide?
N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 89439796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).