N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide

C19H19N3O4 — CID 132532956

IUPACN-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCOCCOc1cc(=O)n(C)cc1C(=O)Nc1cncc2ccccc12
InChIInChI=1S/C19H19N3O4/c1-22-12-15(17(9-18(22)23)26-8-7-25-2)19(24)21-16-11-20-10-13-5-3-4-6-14(13)16/h3-6,9-12H,7-8H2,1-2H3,(H,21,24)
InChIKeyYMXNFEGPUBPXLZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.21
Rot. Bonds6

About N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide

N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 132532956) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID132532956
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCOCCOc1cc(=O)n(C)cc1C(=O)Nc1cncc2ccccc12
InChIInChI=1S/C19H19N3O4/c1-22-12-15(17(9-18(22)23)26-8-7-25-2)19(24)21-16-11-20-10-13-5-3-4-6-14(13)16/h3-6,9-12H,7-8H2,1-2H3,(H,21,24)
InChIKeyYMXNFEGPUBPXLZ-UHFFFAOYSA-N
XLogP2.21
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 132532959
[4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carbonyl] 4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxylate
CID 134845959
N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide
CID 166085769
5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
CID 17357158
4-methoxy-1-methyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 91813993
2-amino-N-isoquinolin-4-yl-5-(trifluoromethoxy)benzamide
CID 166085813
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
2-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 60567369
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
CID 56761267

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide (CID 132532956) is N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide is COCCOc1cc(=O)n(C)cc1C(=O)Nc1cncc2ccccc12.
What is the InChIKey of N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is YMXNFEGPUBPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-22-12-15(17(9-18(22)23)26-8-7-25-2)19(24)21-16-11-20-10-13-5-3-4-6-14(13)16/h3-6,9-12H,7-8H2,1-2H3,(H,21,24).
What are the key properties of N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide?
N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-4-yl-4-(2-methoxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 132532956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).