N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

C20H21F3N4O3 — CID 71699499

IUPACN-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccc(C(F)(F)F)nc1)N1CCOCC1)C1COc2ncccc21
InChIInChI=1S/C20H21F3N4O3/c21-20(22,23)17-4-3-13(10-25-17)16(27-6-8-29-9-7-27)11-26-18(28)15-12-30-19-14(15)2-1-5-24-19/h1-5,10,15-16H,6-9,11-12H2,(H,26,28)
InChIKeyXXWWSCLZNBOIMM-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.16
Rot. Bonds5

About N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (PubChem CID 71699499) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
PubChem CID71699499
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC NameN-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccc(C(F)(F)F)nc1)N1CCOCC1)C1COc2ncccc21
InChIInChI=1S/C20H21F3N4O3/c21-20(22,23)17-4-3-13(10-25-17)16(27-6-8-29-9-7-27)11-26-18(28)15-12-30-19-14(15)2-1-5-24-19/h1-5,10,15-16H,6-9,11-12H2,(H,26,28)
InChIKeyXXWWSCLZNBOIMM-UHFFFAOYSA-N
XLogP2.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (CID 71699499) is N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is O=C(NCC(c1ccc(C(F)(F)F)nc1)N1CCOCC1)C1COc2ncccc21.
What is the InChIKey of N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is XXWWSCLZNBOIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c21-20(22,23)17-4-3-13(10-25-17)16(27-6-8-29-9-7-27)11-26-18(28)15-12-30-19-14(15)2-1-5-24-19/h1-5,10,15-16H,6-9,11-12H2,(H,26,28).
What are the key properties of N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 71699499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).