N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide

C24H25N3O3 — CID 91489847

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(-c2ccc3c(c2)CCC3=O)o1
InChIInChI=1S/C24H25N3O3/c1-26(2)12-13-27(3)24(29)22-15-20(16-8-10-25-11-9-16)23(30-22)18-4-6-19-17(14-18)5-7-21(19)28/h4,6,8-11,14-15H,5,7,12-13H2,1-3H3
InChIKeyOLHJKQPJFJJGLM-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide

N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide (PubChem CID 91489847) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide
PubChem CID91489847
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(-c2ccc3c(c2)CCC3=O)o1
InChIInChI=1S/C24H25N3O3/c1-26(2)12-13-27(3)24(29)22-15-20(16-8-10-25-11-9-16)23(30-22)18-4-6-19-17(14-18)5-7-21(19)28/h4,6,8-11,14-15H,5,7,12-13H2,1-3H3
InChIKeyOLHJKQPJFJJGLM-UHFFFAOYSA-N
XLogP3.77
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide (CID 91489847) is N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide is CN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(-c2ccc3c(c2)CCC3=O)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is OLHJKQPJFJJGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-26(2)12-13-27(3)24(29)22-15-20(16-8-10-25-11-9-16)23(30-22)18-4-6-19-17(14-18)5-7-21(19)28/h4,6,8-11,14-15H,5,7,12-13H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)-4-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 91489847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).