2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide

C18H19N3O3 — CID 5308909

IUPAC2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NCc3cccnc3)c2C1=O
InChIInChI=1S/C18H19N3O3/c1-24-9-8-21-12-14-5-2-6-15(16(14)18(21)23)17(22)20-11-13-4-3-7-19-10-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyPYHZFDIWOVTJAF-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.61
Rot. Bonds6

About 2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide

2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide (PubChem CID 5308909) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
PubChem CID5308909
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NCc3cccnc3)c2C1=O
InChIInChI=1S/C18H19N3O3/c1-24-9-8-21-12-14-5-2-6-15(16(14)18(21)23)17(22)20-11-13-4-3-7-19-10-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyPYHZFDIWOVTJAF-UHFFFAOYSA-N
XLogP1.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46968435
3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxylate
CID 7061762
N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3238535
N-butyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide
CID 20855915
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(1,3-benzodioxol-5-yl)-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 3239696
(2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878708
2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide
CID 3245754
ethyl (3R)-3-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]-3-(4-methylphenyl)propanoate
CID 92661379
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide (CID 5308909) is 2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)NCc3cccnc3)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide?
The InChIKey is PYHZFDIWOVTJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-9-8-21-12-14-5-2-6-15(16(14)18(21)23)17(22)20-11-13-4-3-7-19-10-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of 2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 5308909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).