N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide

C18H19N3O4 — CID 95977473

IUPACN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccco1
InChIInChI=1S/C18H19N3O4/c1-21(2)14(16-6-4-10-25-16)11-19-17(22)12-7-8-13(20-18(12)23)15-5-3-9-24-15/h3-10,14H,11H2,1-2H3,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyFJPCNHXTSNBKKQ-CQSZACIVSA-N
MW341.37 g/mol
LogP2.26
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95977473) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95977473
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccco1
InChIInChI=1S/C18H19N3O4/c1-21(2)14(16-6-4-10-25-16)11-19-17(22)12-7-8-13(20-18(12)23)15-5-3-9-24-15/h3-10,14H,11H2,1-2H3,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyFJPCNHXTSNBKKQ-CQSZACIVSA-N
XLogP2.26
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide (CID 95977473) is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide is CN(C)[C@H](CNC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccco1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FJPCNHXTSNBKKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-21(2)14(16-6-4-10-25-16)11-19-17(22)12-7-8-13(20-18(12)23)15-5-3-9-24-15/h3-10,14H,11H2,1-2H3,(H,19,22)(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95977473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).