N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

C17H20N4O3 — CID 39830660

IUPACN-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H20N4O3/c1-2-18-16(22)13-5-3-7-19-15(13)20-8-10-21(11-9-20)17(23)14-6-4-12-24-14/h3-7,12H,2,8-11H2,1H3,(H,18,22)
InChIKeyIMEFWGOUCLGJRM-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.39
Rot. Bonds4

About N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 39830660) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID39830660
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H20N4O3/c1-2-18-16(22)13-5-3-7-19-15(13)20-8-10-21(11-9-20)17(23)14-6-4-12-24-14/h3-7,12H,2,8-11H2,1H3,(H,18,22)
InChIKeyIMEFWGOUCLGJRM-UHFFFAOYSA-N
XLogP1.39
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 16676781
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 53270741
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 136577040
[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 137341507
N-ethyl-4-(furan-2-carbonyl)-N'-[(2-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166730
N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111168126
N'-[(2-butoxy-3-pyridinyl)methyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111168324
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 39830660) is N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is CCNC(=O)c1cccnc1N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is IMEFWGOUCLGJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-18-16(22)13-5-3-7-19-15(13)20-8-10-21(11-9-20)17(23)14-6-4-12-24-14/h3-7,12H,2,8-11H2,1H3,(H,18,22).
What are the key properties of N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 39830660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).