N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide

C19H17F3N2O3 — CID 71462281

IUPACN-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
SMILESCCN(CCO)C(=O)c1oc2cccnc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-2-24(9-10-25)18(26)17-15(16-14(27-17)7-4-8-23-16)12-5-3-6-13(11-12)19(20,21)22/h3-8,11,25H,2,9-10H2,1H3
InChIKeyHOHQLIVIEGJJLP-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.97
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 71462281) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
PubChem CID71462281
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
SMILESCCN(CCO)C(=O)c1oc2cccnc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-2-24(9-10-25)18(26)17-15(16-14(27-17)7-4-8-23-16)12-5-3-6-13(11-12)19(20,21)22/h3-8,11,25H,2,9-10H2,1H3
InChIKeyHOHQLIVIEGJJLP-UHFFFAOYSA-N
XLogP3.97
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
N-[2-(5-methoxy-2-phenylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042142
N-[2-[2-(4-fluorophenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
CID 127042442
[[1-(1,2-Dioxo-2-aminoethyl)-2-ethyl-3-[3-(trifluoromethyl)benzyl]indolizin-8-yl]oxy]acetic acid
CID 9803692
(1-Aminooxalyl-3-benzyl-2-ethyl-indolizin-8-yloxy)-acetic acid
CID 9886168
(1-Aminooxalyl-3-benzyl-2-methyl-indolizin-8-yloxy)-acetic acid
CID 10406575
(1-Aminooxalyl-2-ethyl-3-phenethyl-indolizin-8-yloxy)-acetic acid
CID 10524659
Methyl 2-[2-ethyl-1-oxamoyl-3-[(3-phenylphenyl)methyl]indolizin-8-yl]oxyacetate
CID 10624196
2-[3-Biphenyl-2-ylmethyl-2-ethyl-8-(2-oxo-propoxy)-indolizin-1-yl]-2-oxo-acetamide
CID 20644949
(1-methylindol-3-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66613304
2-[3-(Furan-2-carbonyl)-indol-1-yl]-1-(4-methyl-piperidin-1-yl)-ethanone
CID 656007
2-furyl{1-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-1H-indol-3-yl}methanone
CID 2964527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide (CID 71462281) is N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide is CCN(CCO)C(=O)c1oc2cccnc2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is HOHQLIVIEGJJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-2-24(9-10-25)18(26)17-15(16-14(27-17)7-4-8-23-16)12-5-3-6-13(11-12)19(20,21)22/h3-8,11,25H,2,9-10H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 71462281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).