5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C19H18F5N3O2 — CID 134363734

IUPAC5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCN(CC1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1)CC(F)(F)F
InChIInChI=1S/C19H18F5N3O2/c1-27(9-19(22,23)24)8-11-3-5-13-14(12-4-2-10(20)6-15(12)21)7-16(17(25)28)26-18(13)29-11/h2,4,6-7,11H,3,5,8-9H2,1H3,(H2,25,28)
InChIKeyQCVOOLBKUHWWQR-UHFFFAOYSA-N
MW415.36 g/mol
LogP3.31
Rot. Bonds5

About 5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363734) has the molecular formula C19H18F5N3O2 and a molecular weight of 415.36 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363734
Molecular FormulaC19H18F5N3O2
Molecular Weight415.36 g/mol
Exact Mass415.13
IUPAC Name5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCN(CC1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1)CC(F)(F)F
InChIInChI=1S/C19H18F5N3O2/c1-27(9-19(22,23)24)8-11-3-5-13-14(12-4-2-10(20)6-15(12)21)7-16(17(25)28)26-18(13)29-11/h2,4,6-7,11H,3,5,8-9H2,1H3,(H2,25,28)
InChIKeyQCVOOLBKUHWWQR-UHFFFAOYSA-N
XLogP3.31
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363734) is 5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is CN(CC1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1)CC(F)(F)F.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is QCVOOLBKUHWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N3O2/c1-27(9-19(22,23)24)8-11-3-5-13-14(12-4-2-10(20)6-15(12)21)7-16(17(25)28)26-18(13)29-11/h2,4,6-7,11H,3,5,8-9H2,1H3,(H2,25,28).
What are the key properties of 5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 415.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).