2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide

C19H19N3O3 — CID 2994636

IUPAC2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)NCc3ccccn3)cc2C1=O
InChIInChI=1S/C19H19N3O3/c1-12(2)11-22-18(24)15-7-6-13(9-16(15)19(22)25)17(23)21-10-14-5-3-4-8-20-14/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyBLSWAMFGHKIQQD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.26
Rot. Bonds5

About 2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide

2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide (PubChem CID 2994636) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide
PubChem CID2994636
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)NCc3ccccn3)cc2C1=O
InChIInChI=1S/C19H19N3O3/c1-12(2)11-22-18(24)15-7-6-13(9-16(15)19(22)25)17(23)21-10-14-5-3-4-8-20-14/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyBLSWAMFGHKIQQD-UHFFFAOYSA-N
XLogP2.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 53316847
(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
6-[5-(Cyclopropylcarbamoyl)-2-Methylphenyl]-N-(Cyclopropylmethyl)pyridine-3-Carboxamide
CID 21914519
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
7-isopropyl-2-pyridin-4-yl-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 25190888
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CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,1'-cyclopentane]-6-yl)benzamide
CID 44250620

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide (CID 2994636) is 2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide is CC(C)CN1C(=O)c2ccc(C(=O)NCc3ccccn3)cc2C1=O.
What is the InChIKey of 2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide?
The InChIKey is BLSWAMFGHKIQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(2)11-22-18(24)15-7-6-13(9-16(15)19(22)25)17(23)21-10-14-5-3-4-8-20-14/h3-9,12H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide?
2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-dioxo-N-(pyridin-2-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 2994636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).