N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide

C21H20N4O2 — CID 166363835

IUPACN-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESCN1Cc2ccccc2C1CNC(=O)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C21H20N4O2/c1-25-13-15-4-2-3-5-16(15)19(25)12-23-20(26)17-6-7-18(24-21(17)27)14-8-10-22-11-9-14/h2-11,19H,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyXPXFSMVZQMDPDB-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.35
Rot. Bonds4

About N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide

N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 166363835) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
PubChem CID166363835
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESCN1Cc2ccccc2C1CNC(=O)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C21H20N4O2/c1-25-13-15-4-2-3-5-16(15)19(25)12-23-20(26)17-6-7-18(24-21(17)27)14-8-10-22-11-9-14/h2-11,19H,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyXPXFSMVZQMDPDB-UHFFFAOYSA-N
XLogP2.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 125478368
N-(2-methoxyethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 129352938
N-(cyclopropylmethyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497565
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977432
ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 91141021
N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 124559390
N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide
CID 166384244
N-(2-methyl-2-piperidin-1-ylpropyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55834063
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
3-(piperidine-1-carbonyl)-6-pyridin-4-yl-1H-pyridin-2-one
CID 129353314

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide (CID 166363835) is N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide is CN1Cc2ccccc2C1CNC(=O)c1ccc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is XPXFSMVZQMDPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25-13-15-4-2-3-5-16(15)19(25)12-23-20(26)17-6-7-18(24-21(17)27)14-8-10-22-11-9-14/h2-11,19H,12-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166363835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).