2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid

C26H21N3O5 — CID 129159176

IUPAC2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid
SMILESCCc1oc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)nc1C(=O)O
InChIInChI=1S/C26H21N3O5/c1-2-21-23(26(31)32)29-25(34-21)17-5-3-4-15(10-17)12-28-24(30)16-6-7-20-19-8-9-27-13-18(19)14-33-22(20)11-16/h3-11,13H,2,12,14H2,1H3,(H,28,30)(H,31,32)
InChIKeyDFARZNAIXNERRA-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.49
Rot. Bonds6

About 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid

2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid (PubChem CID 129159176) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid
PubChem CID129159176
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC Name2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid
SMILESCCc1oc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)nc1C(=O)O
InChIInChI=1S/C26H21N3O5/c1-2-21-23(26(31)32)29-25(34-21)17-5-3-4-15(10-17)12-28-24(30)16-6-7-20-19-8-9-27-13-18(19)14-33-22(20)11-16/h3-11,13H,2,12,14H2,1H3,(H,28,30)(H,31,32)
InChIKeyDFARZNAIXNERRA-UHFFFAOYSA-N
XLogP4.49
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid with MolForge

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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-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363553
N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363503
N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363833
N-[(4-chlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363663
N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
CID 129171346
N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 129159089
N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363595
N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363835
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363583
[5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate
CID 129159122

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid (CID 129159176) is 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid is CCc1oc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)nc1C(=O)O.
What is the InChIKey of 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is DFARZNAIXNERRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-2-21-23(26(31)32)29-25(34-21)17-5-3-4-15(10-17)12-28-24(30)16-6-7-20-19-8-9-27-13-18(19)14-33-22(20)11-16/h3-11,13H,2,12,14H2,1H3,(H,28,30)(H,31,32).
What are the key properties of 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid?
2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 455.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 129159176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).