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

C17H17N3O3 — CID 3239251

IUPAC2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3cccnc3)c2C1=O
InChIInChI=1S/C17H17N3O3/c1-23-9-8-20-11-12-4-2-6-14(15(12)17(20)22)16(21)19-13-5-3-7-18-10-13/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyRNTGJUSWRMBRNC-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.94
Rot. Bonds5

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

2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide (PubChem CID 3239251) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide
PubChem CID3239251
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3cccnc3)c2C1=O
InChIInChI=1S/C17H17N3O3/c1-23-9-8-20-11-12-4-2-6-14(15(12)17(20)22)16(21)19-13-5-3-7-18-10-13/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyRNTGJUSWRMBRNC-UHFFFAOYSA-N
XLogP1.94
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134814226
4-Pentyl-N-pyridin-3-yl-benzamide
CID 2796370
4-butyl-N-(pyridin-3-yl)benzamide
CID 4286311
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90442604
N-(pyridin-3-yl)biphenyl-2-carboxamide
CID 679747
5-{[3-(Dimethylamino)benzoyl]amino}-2-methyl-n-pyridin-3-ylbenzamide
CID 44571803
Phthalimide, N-3-pyridyl-
CID 167793
4-octyl-N-pyridin-3-ylbenzamide
CID 44450380
4-decyl-N-pyridin-3-ylbenzamide
CID 44450381
6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 134821995
3-[2-(2-Methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]-1-(pyridin-3-YL)urea
CID 20924480
N-benzyl-1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolinecarboxamide
CID 1026487

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide (CID 3239251) is 2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3cccnc3)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide?
The InChIKey is RNTGJUSWRMBRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-9-8-20-11-12-4-2-6-14(15(12)17(20)22)16(21)19-13-5-3-7-18-10-13/h2-7,10H,8-9,11H2,1H3,(H,19,21).
What are the key properties of 2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-3-oxo-N-pyridin-3-yl-1H-isoindole-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.94, 5 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-yl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3239251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).