N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide

C19H17F4N3O3 — CID 90039488

IUPACN-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide
SMILESO=C(NC1(c2ccc(OC(F)(F)F)c(F)c2)CCOc2cccnc21)N1CCC1
InChIInChI=1S/C19H17F4N3O3/c20-13-11-12(4-5-14(13)29-19(21,22)23)18(25-17(27)26-8-2-9-26)6-10-28-15-3-1-7-24-16(15)18/h1,3-5,7,11H,2,6,8-10H2,(H,25,27)
InChIKeyGRQOWFWARNLNHK-UHFFFAOYSA-N
MW411.36 g/mol
LogP3.56
Rot. Bonds3

About N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide

N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide (PubChem CID 90039488) has the molecular formula C19H17F4N3O3 and a molecular weight of 411.36 g/mol. Its IUPAC name is N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide
PubChem CID90039488
Molecular FormulaC19H17F4N3O3
Molecular Weight411.36 g/mol
Exact Mass411.12
IUPAC NameN-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide
SMILESO=C(NC1(c2ccc(OC(F)(F)F)c(F)c2)CCOc2cccnc21)N1CCC1
InChIInChI=1S/C19H17F4N3O3/c20-13-11-12(4-5-14(13)29-19(21,22)23)18(25-17(27)26-8-2-9-26)6-10-28-15-3-1-7-24-16(15)18/h1,3-5,7,11H,2,6,8-10H2,(H,25,27)
InChIKeyGRQOWFWARNLNHK-UHFFFAOYSA-N
XLogP3.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide?
The IUPAC name of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide (CID 90039488) is N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide?
The canonical SMILES for N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide is O=C(NC1(c2ccc(OC(F)(F)F)c(F)c2)CCOc2cccnc21)N1CCC1.
What is the InChIKey of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide?
The InChIKey is GRQOWFWARNLNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O3/c20-13-11-12(4-5-14(13)29-19(21,22)23)18(25-17(27)26-8-2-9-26)6-10-28-15-3-1-7-24-16(15)18/h1,3-5,7,11H,2,6,8-10H2,(H,25,27).
What are the key properties of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide?
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide has a molecular weight of 411.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide is sourced from PubChem (CID 90039488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).