N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C25H20N4O4S — CID 121363553

IUPACN-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCS(=O)(=O)c1ncc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)cn1
InChIInChI=1S/C25H20N4O4S/c1-34(31,32)25-28-13-19(14-29-25)17-4-2-3-16(9-17)11-27-24(30)18-5-6-22-21-7-8-26-12-20(21)15-33-23(22)10-18/h2-10,12-14H,11,15H2,1H3,(H,27,30)
InChIKeyFPZDPUKYWGGNCU-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.43
Rot. Bonds5

About N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363553) has the molecular formula C25H20N4O4S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363553
Molecular FormulaC25H20N4O4S
Molecular Weight472.53 g/mol
Exact Mass472.12
IUPAC NameN-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCS(=O)(=O)c1ncc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)cn1
InChIInChI=1S/C25H20N4O4S/c1-34(31,32)25-28-13-19(14-29-25)17-4-2-3-16(9-17)11-27-24(30)18-5-6-22-21-7-8-26-12-20(21)15-33-23(22)10-18/h2-10,12-14H,11,15H2,1H3,(H,27,30)
InChIKeyFPZDPUKYWGGNCU-UHFFFAOYSA-N
XLogP3.43
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid
CID 129159176
N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363503
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-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363833
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-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363730
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363723

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363553) is N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is CS(=O)(=O)c1ncc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)cn1.
What is the InChIKey of N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is FPZDPUKYWGGNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4S/c1-34(31,32)25-28-13-19(14-29-25)17-4-2-3-16(9-17)11-27-24(30)18-5-6-22-21-7-8-26-12-20(21)15-33-23(22)10-18/h2-10,12-14H,11,15H2,1H3,(H,27,30).
What are the key properties of N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 472.53 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).