N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide

C24H23N3O4 — CID 122592610

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=C(C(=O)C21NC(=O)c1ccncc1)C(N)CC=C3
InChIInChI=1S/C24H23N3O4/c1-13(2)15-6-7-16-19(12-15)31-24(30)17-4-3-5-18(25)20(17)21(28)23(16,24)27-22(29)14-8-10-26-11-9-14/h3-4,6-13,18,30H,5,25H2,1-2H3,(H,27,29)
InChIKeyCEKGUORKRMQNBA-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.08
Rot. Bonds3

About N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide (PubChem CID 122592610) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide
PubChem CID122592610
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=C(C(=O)C21NC(=O)c1ccncc1)C(N)CC=C3
InChIInChI=1S/C24H23N3O4/c1-13(2)15-6-7-16-19(12-15)31-24(30)17-4-3-5-18(25)20(17)21(28)23(16,24)27-22(29)14-8-10-26-11-9-14/h3-4,6-13,18,30H,5,25H2,1-2H3,(H,27,29)
InChIKeyCEKGUORKRMQNBA-UHFFFAOYSA-N
XLogP2.08
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide (CID 122592610) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide is CC(C)c1ccc2c(c1)OC1(O)C3=C(C(=O)C21NC(=O)c1ccncc1)C(N)CC=C3.
What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide?
The InChIKey is CEKGUORKRMQNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-13(2)15-6-7-16-19(12-15)31-24(30)17-4-3-5-18(25)20(17)21(28)23(16,24)27-22(29)14-8-10-26-11-9-14/h3-4,6-13,18,30H,5,25H2,1-2H3,(H,27,29).
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122592610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).