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

C22H17F3N2O2 — CID 73055697

IUPACN-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESO=C(N[C@]1(c2ccc(C(F)(F)F)cc2)CCOc2cccnc21)c1ccccc1
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)17-10-8-16(9-11-17)21(27-20(28)15-5-2-1-3-6-15)12-14-29-18-7-4-13-26-19(18)21/h1-11,13H,12,14H2,(H,27,28)/t21-/m0/s1
InChIKeyKXNRSEOKFORHFI-NRFANRHFSA-N
MW398.38 g/mol
LogP4.56
Rot. Bonds3

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

N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (PubChem CID 73055697) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
PubChem CID73055697
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC NameN-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESO=C(N[C@]1(c2ccc(C(F)(F)F)cc2)CCOc2cccnc21)c1ccccc1
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)17-10-8-16(9-11-17)21(27-20(28)15-5-2-1-3-6-15)12-14-29-18-7-4-13-26-19(18)21/h1-11,13H,12,14H2,(H,27,28)/t21-/m0/s1
InChIKeyKXNRSEOKFORHFI-NRFANRHFSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The IUPAC name of N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (CID 73055697) is N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.
What is the SMILES notation for N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The canonical SMILES for N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is O=C(N[C@]1(c2ccc(C(F)(F)F)cc2)CCOc2cccnc21)c1ccccc1.
What is the InChIKey of N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The InChIKey is KXNRSEOKFORHFI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c23-22(24,25)17-10-8-16(9-11-17)21(27-20(28)15-5-2-1-3-6-15)12-14-29-18-7-4-13-26-19(18)21/h1-11,13H,12,14H2,(H,27,28)/t21-/m0/s1.
What are the key properties of N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide has a molecular weight of 398.38 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 73055697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).