4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide

C34H26N2O4 — CID 166783375

IUPAC4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide
SMILESNC(=O)c1ccc([C@@H](Oc2ccc3c(c2-c2ccc(-c4ccccc4)cc2)OCCC3=O)c2ccncc2)cc1
InChIInChI=1S/C34H26N2O4/c35-34(38)27-12-10-25(11-13-27)32(26-16-19-36-20-17-26)40-30-15-14-28-29(37)18-21-39-33(28)31(30)24-8-6-23(7-9-24)22-4-2-1-3-5-22/h1-17,19-20,32H,18,21H2,(H2,35,38)/t32-/m1/s1
InChIKeyHZBPQJWALVXSEF-JGCGQSQUSA-N
MW526.59 g/mol
LogP6.65
Rot. Bonds7

About 4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide

4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide (PubChem CID 166783375) has the molecular formula C34H26N2O4 and a molecular weight of 526.59 g/mol. Its IUPAC name is 4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide.

Molecular Properties

Compound Name4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide
PubChem CID166783375
Molecular FormulaC34H26N2O4
Molecular Weight526.59 g/mol
Exact Mass526.19
IUPAC Name4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide
SMILESNC(=O)c1ccc([C@@H](Oc2ccc3c(c2-c2ccc(-c4ccccc4)cc2)OCCC3=O)c2ccncc2)cc1
InChIInChI=1S/C34H26N2O4/c35-34(38)27-12-10-25(11-13-27)32(26-16-19-36-20-17-26)40-30-15-14-28-29(37)18-21-39-33(28)31(30)24-8-6-23(7-9-24)22-4-2-1-3-5-22/h1-17,19-20,32H,18,21H2,(H2,35,38)/t32-/m1/s1
InChIKeyHZBPQJWALVXSEF-JGCGQSQUSA-N
XLogP6.65
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide?
The IUPAC name of 4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide (CID 166783375) is 4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide.
What is the SMILES notation for 4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide?
The canonical SMILES for 4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide is NC(=O)c1ccc([C@@H](Oc2ccc3c(c2-c2ccc(-c4ccccc4)cc2)OCCC3=O)c2ccncc2)cc1.
What is the InChIKey of 4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide?
The InChIKey is HZBPQJWALVXSEF-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H26N2O4/c35-34(38)27-12-10-25(11-13-27)32(26-16-19-36-20-17-26)40-30-15-14-28-29(37)18-21-39-33(28)31(30)24-8-6-23(7-9-24)22-4-2-1-3-5-22/h1-17,19-20,32H,18,21H2,(H2,35,38)/t32-/m1/s1.
What are the key properties of 4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide?
4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide has a molecular weight of 526.59 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide is sourced from PubChem (CID 166783375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).