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

C23H19F3N2O3 — CID 73055991

IUPAC4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@]2(c3ccc(C(F)(F)F)cc3)CCOc3cccnc32)cc1
InChIInChI=1S/C23H19F3N2O3/c1-30-18-10-4-15(5-11-18)21(29)28-22(12-14-31-19-3-2-13-27-20(19)22)16-6-8-17(9-7-16)23(24,25)26/h2-11,13H,12,14H2,1H3,(H,28,29)/t22-/m0/s1
InChIKeyRTDCPZSFIBSQIH-QFIPXVFZSA-N
MW428.41 g/mol
LogP4.57
Rot. Bonds4

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

4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (PubChem CID 73055991) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
PubChem CID73055991
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@]2(c3ccc(C(F)(F)F)cc3)CCOc3cccnc32)cc1
InChIInChI=1S/C23H19F3N2O3/c1-30-18-10-4-15(5-11-18)21(29)28-22(12-14-31-19-3-2-13-27-20(19)22)16-6-8-17(9-7-16)23(24,25)26/h2-11,13H,12,14H2,1H3,(H,28,29)/t22-/m0/s1
InChIKeyRTDCPZSFIBSQIH-QFIPXVFZSA-N
XLogP4.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (CID 73055991) is 4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is COc1ccc(C(=O)N[C@]2(c3ccc(C(F)(F)F)cc3)CCOc3cccnc32)cc1.
What is the InChIKey of 4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The InChIKey is RTDCPZSFIBSQIH-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-30-18-10-4-15(5-11-18)21(29)28-22(12-14-31-19-3-2-13-27-20(19)22)16-6-8-17(9-7-16)23(24,25)26/h2-11,13H,12,14H2,1H3,(H,28,29)/t22-/m0/s1.
What are the key properties of 4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide has a molecular weight of 428.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 73055991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).