N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide

C19H21N3O2 — CID 171679997

IUPACN-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide
SMILESCN1Cc2ccc(-c3cncc(C(=O)NC(C)(C)C)c3)cc2C1=O
InChIInChI=1S/C19H21N3O2/c1-19(2,3)21-17(23)15-7-14(9-20-10-15)12-5-6-13-11-22(4)18(24)16(13)8-12/h5-10H,11H2,1-4H3,(H,21,23)
InChIKeyYYHWEGBYOTWGSN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.86
Rot. Bonds2

About N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide

N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide (PubChem CID 171679997) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide
PubChem CID171679997
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide
SMILESCN1Cc2ccc(-c3cncc(C(=O)NC(C)(C)C)c3)cc2C1=O
InChIInChI=1S/C19H21N3O2/c1-19(2,3)21-17(23)15-7-14(9-20-10-15)12-5-6-13-11-22(4)18(24)16(13)8-12/h5-10H,11H2,1-4H3,(H,21,23)
InChIKeyYYHWEGBYOTWGSN-UHFFFAOYSA-N
XLogP2.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide (CID 171679997) is N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide is CN1Cc2ccc(-c3cncc(C(=O)NC(C)(C)C)c3)cc2C1=O.
What is the InChIKey of N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide?
The InChIKey is YYHWEGBYOTWGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2,3)21-17(23)15-7-14(9-20-10-15)12-5-6-13-11-22(4)18(24)16(13)8-12/h5-10H,11H2,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide?
N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171679997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).