6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide

C26H21N3O3 — CID 90039222

IUPAC6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@]1(c2ccc(-c3ccccc3)cc2)CCOc2cccnc21)c1ccc(=O)[nH]c1
InChIInChI=1S/C26H21N3O3/c30-23-13-10-20(17-28-23)25(31)29-26(14-16-32-22-7-4-15-27-24(22)26)21-11-8-19(9-12-21)18-5-2-1-3-6-18/h1-13,15,17H,14,16H2,(H,28,30)(H,29,31)/t26-/m1/s1
InChIKeyNVYUPGKAPNASMK-AREMUKBSSA-N
MW423.47 g/mol
LogP3.89
Rot. Bonds4

About 6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide

6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide (PubChem CID 90039222) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide
PubChem CID90039222
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@]1(c2ccc(-c3ccccc3)cc2)CCOc2cccnc21)c1ccc(=O)[nH]c1
InChIInChI=1S/C26H21N3O3/c30-23-13-10-20(17-28-23)25(31)29-26(14-16-32-22-7-4-15-27-24(22)26)21-11-8-19(9-12-21)18-5-2-1-3-6-18/h1-13,15,17H,14,16H2,(H,28,30)(H,29,31)/t26-/m1/s1
InChIKeyNVYUPGKAPNASMK-AREMUKBSSA-N
XLogP3.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide (CID 90039222) is 6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide is O=C(N[C@@]1(c2ccc(-c3ccccc3)cc2)CCOc2cccnc21)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide?
The InChIKey is NVYUPGKAPNASMK-AREMUKBSSA-N. The full InChI is InChI=1S/C26H21N3O3/c30-23-13-10-20(17-28-23)25(31)29-26(14-16-32-22-7-4-15-27-24(22)26)21-11-8-19(9-12-21)18-5-2-1-3-6-18/h1-13,15,17H,14,16H2,(H,28,30)(H,29,31)/t26-/m1/s1.
What are the key properties of 6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide?
6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(4R)-4-(4-phenylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90039222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).