N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide

C21H16F3N3O2 — CID 73056270

IUPACN-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESO=C(NC1(c2ccc(C(F)(F)F)nc2)CCOc2cccnc21)c1ccccc1
InChIInChI=1S/C21H16F3N3O2/c22-21(23,24)17-9-8-15(13-26-17)20(27-19(28)14-5-2-1-3-6-14)10-12-29-16-7-4-11-25-18(16)20/h1-9,11,13H,10,12H2,(H,27,28)
InChIKeyNPCGLLZSHNUPFS-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.95
Rot. Bonds3

About N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide

N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (PubChem CID 73056270) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound NameN-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
PubChem CID73056270
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC NameN-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESO=C(NC1(c2ccc(C(F)(F)F)nc2)CCOc2cccnc21)c1ccccc1
InChIInChI=1S/C21H16F3N3O2/c22-21(23,24)17-9-8-15(13-26-17)20(27-19(28)14-5-2-1-3-6-14)10-12-29-16-7-4-11-25-18(16)20/h1-9,11,13H,10,12H2,(H,27,28)
InChIKeyNPCGLLZSHNUPFS-UHFFFAOYSA-N
XLogP3.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The IUPAC name of N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (CID 73056270) is N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.
What is the SMILES notation for N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The canonical SMILES for N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is O=C(NC1(c2ccc(C(F)(F)F)nc2)CCOc2cccnc21)c1ccccc1.
What is the InChIKey of N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The InChIKey is NPCGLLZSHNUPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c22-21(23,24)17-9-8-15(13-26-17)20(27-19(28)14-5-2-1-3-6-14)10-12-29-16-7-4-11-25-18(16)20/h1-9,11,13H,10,12H2,(H,27,28).
What are the key properties of N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide has a molecular weight of 399.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 73056270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).