N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide

C20H21N3O2S — CID 2998762

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cccnc1Sc1ccccc1)c1ccco1
InChIInChI=1S/C20H21N3O2S/c1-23(2)17(18-11-7-13-25-18)14-22-19(24)16-10-6-12-21-20(16)26-15-8-4-3-5-9-15/h3-13,17H,14H2,1-2H3,(H,22,24)
InChIKeySZOCRTAHZVCDBY-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.86
Rot. Bonds7

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 2998762) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID2998762
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1cccnc1Sc1ccccc1)c1ccco1
InChIInChI=1S/C20H21N3O2S/c1-23(2)17(18-11-7-13-25-18)14-22-19(24)16-10-6-12-21-20(16)26-15-8-4-3-5-9-15/h3-13,17H,14H2,1-2H3,(H,22,24)
InChIKeySZOCRTAHZVCDBY-UHFFFAOYSA-N
XLogP3.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide (CID 2998762) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide is CN(C)C(CNC(=O)c1cccnc1Sc1ccccc1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is SZOCRTAHZVCDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-23(2)17(18-11-7-13-25-18)14-22-19(24)16-10-6-12-21-20(16)26-15-8-4-3-5-9-15/h3-13,17H,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2998762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).