6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide

C16H20N4O3 — CID 119445716

IUPAC6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C16H20N4O3/c21-15(18-7-10-20-8-5-17-6-9-20)12-3-4-13(19-16(12)22)14-2-1-11-23-14/h1-4,11,17H,5-10H2,(H,18,21)(H,19,22)
InChIKeyOHVBABXXWLVDIO-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.27
Rot. Bonds5

About 6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide

6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide (PubChem CID 119445716) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
PubChem CID119445716
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C16H20N4O3/c21-15(18-7-10-20-8-5-17-6-9-20)12-3-4-13(19-16(12)22)14-2-1-11-23-14/h1-4,11,17H,5-10H2,(H,18,21)(H,19,22)
InChIKeyOHVBABXXWLVDIO-UHFFFAOYSA-N
XLogP0.27
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119619648
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 119495794
5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119393280
6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 71934139
2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 43600278
2-(furan-2-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119446974
6-(furan-2-yl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977413
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977432
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
CID 119449206

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide (CID 119445716) is 6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide is O=C(NCCN1CCNCC1)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide?
The InChIKey is OHVBABXXWLVDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-15(18-7-10-20-8-5-17-6-9-20)12-3-4-13(19-16(12)22)14-2-1-11-23-14/h1-4,11,17H,5-10H2,(H,18,21)(H,19,22).
What are the key properties of 6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide?
6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119445716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).