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

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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).