N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C25H23N3O4 — CID 129159089

IUPACN-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOC1CN(C(=O)c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)C1
InChIInChI=1S/C25H23N3O4/c1-31-20-13-28(14-20)25(30)18-4-2-3-16(9-18)11-27-24(29)17-5-6-22-21-7-8-26-12-19(21)15-32-23(22)10-17/h2-10,12,20H,11,13-15H2,1H3,(H,27,29)
InChIKeyMIXIUPSRUUGWOX-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.04
Rot. Bonds5

About N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 129159089) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID129159089
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOC1CN(C(=O)c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)C1
InChIInChI=1S/C25H23N3O4/c1-31-20-13-28(14-20)25(30)18-4-2-3-16(9-18)11-27-24(29)17-5-6-22-21-7-8-26-12-19(21)15-32-23(22)10-17/h2-10,12,20H,11,13-15H2,1H3,(H,27,29)
InChIKeyMIXIUPSRUUGWOX-UHFFFAOYSA-N
XLogP3.04
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[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-[(4-chlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363663
N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363553
N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
CID 129171346
2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid
CID 129159176
N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363835
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363723
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363583
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363848

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 129159089) is N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is COC1CN(C(=O)c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)C1.
What is the InChIKey of N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is MIXIUPSRUUGWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-31-20-13-28(14-20)25(30)18-4-2-3-16(9-18)11-27-24(29)17-5-6-22-21-7-8-26-12-19(21)15-32-23(22)10-17/h2-10,12,20H,11,13-15H2,1H3,(H,27,29).
What are the key properties of N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 129159089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).