N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

C19H20F3N5O3 — CID 78153252

IUPACN-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCOCC1)C1COc2ncccc21
InChIInChI=1S/C19H20F3N5O3/c20-19(21,22)18-25-8-12(9-26-18)15(27-4-6-29-7-5-27)10-24-16(28)14-11-30-17-13(14)2-1-3-23-17/h1-3,8-9,14-15H,4-7,10-11H2,(H,24,28)
InChIKeyZNKLJUGMIKZITC-UHFFFAOYSA-N
MW423.40 g/mol
LogP1.56
Rot. Bonds5

About N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide

N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (PubChem CID 78153252) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
PubChem CID78153252
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC NameN-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCOCC1)C1COc2ncccc21
InChIInChI=1S/C19H20F3N5O3/c20-19(21,22)18-25-8-12(9-26-18)15(27-4-6-29-7-5-27)10-24-16(28)14-11-30-17-13(14)2-1-3-23-17/h1-3,8-9,14-15H,4-7,10-11H2,(H,24,28)
InChIKeyZNKLJUGMIKZITC-UHFFFAOYSA-N
XLogP1.56
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide (CID 78153252) is N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is O=C(NCC(c1cnc(C(F)(F)F)nc1)N1CCOCC1)C1COc2ncccc21.
What is the InChIKey of N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is ZNKLJUGMIKZITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c20-19(21,22)18-25-8-12(9-26-18)15(27-4-6-29-7-5-27)10-24-16(28)14-11-30-17-13(14)2-1-3-23-17/h1-3,8-9,14-15H,4-7,10-11H2,(H,24,28).
What are the key properties of N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide?
N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 78153252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).