N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide

C26H23ClF3N3O4 — CID 22498724

IUPACN-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
SMILESCN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2o1)CC(O)c1c(F)cc(F)cc1F
InChIInChI=1S/C26H23ClF3N3O4/c1-32(13-22(34)23-20(29)7-16(28)8-21(23)30)11-17-9-18-24(35)19(12-33(2)26(18)37-17)25(36)31-10-14-3-5-15(27)6-4-14/h3-9,12,22,34H,10-11,13H2,1-2H3,(H,31,36)
InChIKeyCBKBHORISMSRPY-UHFFFAOYSA-N
MW533.93 g/mol
LogP4.30
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide (PubChem CID 22498724) has the molecular formula C26H23ClF3N3O4 and a molecular weight of 533.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
PubChem CID22498724
Molecular FormulaC26H23ClF3N3O4
Molecular Weight533.93 g/mol
Exact Mass533.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
SMILESCN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2o1)CC(O)c1c(F)cc(F)cc1F
InChIInChI=1S/C26H23ClF3N3O4/c1-32(13-22(34)23-20(29)7-16(28)8-21(23)30)11-17-9-18-24(35)19(12-33(2)26(18)37-17)25(36)31-10-14-3-5-15(27)6-4-14/h3-9,12,22,34H,10-11,13H2,1-2H3,(H,31,36)
InChIKeyCBKBHORISMSRPY-UHFFFAOYSA-N
XLogP4.30
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.93
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 10152306
N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 10289061
2-[3-[[5-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-4-oxofuro[2,3-b]pyridin-2-yl]methyl-methylamino]-2-hydroxypropyl]sulfanylpyridine-3-carboxylic acid
CID 10239904
N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-3-(7H-purin-6-ylsulfanyl)propyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 10196635
N-[(4-chlorophenyl)methyl]-2-[[[2-(furan-3-yl)-2-hydroxyethyl]-methylamino]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 11283149
N-[(4-chlorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 22498719
N-[(4-chlorophenyl)methyl]-7-[[[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-methylamino]methyl]-4-methyl-3,10-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 10128842
N-[(4-chlorophenyl)methyl]-8-fluoro-6-[[2-hydroxypropyl(methyl)amino]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59113281
N-[(4-chlorophenyl)methyl]-6-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]methyl]-4-oxo-1-(2-propoxyethyl)quinoline-3-carboxamide
CID 20663999
N-[(4-chlorophenyl)methyl]-2-[[2-hydroxypropyl(methyl)amino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574422
N-[(4-chlorophenyl)methyl]-7-[[[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-methylamino]methyl]-4-(2-hydroxyethyl)-3,10-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 10312013
N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyrimidin-2-ylethyl)-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 10239304

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide (CID 22498724) is N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide is CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2o1)CC(O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
The InChIKey is CBKBHORISMSRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N3O4/c1-32(13-22(34)23-20(29)7-16(28)8-21(23)30)11-17-9-18-24(35)19(12-33(2)26(18)37-17)25(36)31-10-14-3-5-15(27)6-4-14/h3-9,12,22,34H,10-11,13H2,1-2H3,(H,31,36).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide has a molecular weight of 533.93 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 22498724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).