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

C25H25N3O4 — CID 122603339

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC23C(=O)C4=C(C=CCC4N)C2(O)Oc2cc(C(C)C)ccc23)ccn1
InChIInChI=1S/C25H25N3O4/c1-13(2)15-7-8-17-20(12-15)32-25(31)18-5-4-6-19(26)21(18)22(29)24(17,25)28-23(30)16-9-10-27-14(3)11-16/h4-5,7-13,19,31H,6,26H2,1-3H3,(H,28,30)
InChIKeyCKPQNNKBSSFSEC-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.39
Rot. Bonds3

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

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-methylpyridine-4-carboxamide (PubChem CID 122603339) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 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)-2-methylpyridine-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)-2-methylpyridine-4-carboxamide
PubChem CID122603339
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC23C(=O)C4=C(C=CCC4N)C2(O)Oc2cc(C(C)C)ccc23)ccn1
InChIInChI=1S/C25H25N3O4/c1-13(2)15-7-8-17-20(12-15)32-25(31)18-5-4-6-19(26)21(18)22(29)24(17,25)28-23(30)16-9-10-27-14(3)11-16/h4-5,7-13,19,31H,6,26H2,1-3H3,(H,28,30)
InChIKeyCKPQNNKBSSFSEC-UHFFFAOYSA-N
XLogP2.39
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.39
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)-2-methylpyridine-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)-2-methylpyridine-4-carboxamide (CID 122603339) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-methylpyridine-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)-2-methylpyridine-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)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC23C(=O)C4=C(C=CCC4N)C2(O)Oc2cc(C(C)C)ccc23)ccn1.
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)-2-methylpyridine-4-carboxamide?
The InChIKey is CKPQNNKBSSFSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-13(2)15-7-8-17-20(12-15)32-25(31)18-5-4-6-19(26)21(18)22(29)24(17,25)28-23(30)16-9-10-27-14(3)11-16/h4-5,7-13,19,31H,6,26H2,1-3H3,(H,28,30).
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)-2-methylpyridine-4-carboxamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-methylpyridine-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 2.39, 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)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 122603339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).