N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

C21H18N2O2 — CID 129171346

IUPACN-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)COc2cnccc2-3)c1
InChIInChI=1S/C21H18N2O2/c1-14-3-2-4-15(9-14)11-23-21(24)16-5-6-18-17(10-16)13-25-20-12-22-8-7-19(18)20/h2-10,12H,11,13H2,1H3,(H,23,24)
InChIKeyGEIKJCAEVHITCM-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.88
Rot. Bonds3

About N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 129171346) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID129171346
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)COc2cnccc2-3)c1
InChIInChI=1S/C21H18N2O2/c1-14-3-2-4-15(9-14)11-23-21(24)16-5-6-18-17(10-16)13-25-20-12-22-8-7-19(18)20/h2-10,12H,11,13H2,1H3,(H,23,24)
InChIKeyGEIKJCAEVHITCM-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(ethylcarbamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363594
N-[[3-[ethyl(methyl)carbamoyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 129159098
N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363503
N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363553
N-[(4-chlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363663
N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 129159089
N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363833
3-[(6H-isochromeno[4,3-d]pyrimidine-8-carbonylamino)methyl]benzoic acid
CID 121363526
N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363595
2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid
CID 129159176
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363835

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 129171346) is N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is Cc1cccc(CNC(=O)c2ccc3c(c2)COc2cnccc2-3)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is GEIKJCAEVHITCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-3-2-4-15(9-14)11-23-21(24)16-5-6-18-17(10-16)13-25-20-12-22-8-7-19(18)20/h2-10,12H,11,13H2,1H3,(H,23,24).
What are the key properties of N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 129171346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).