N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

C24H28N4O2S — CID 78879225

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3occc3CSc3ccccc3)cn2)CC1
InChIInChI=1S/C24H28N4O2S/c1-2-27-11-13-28(14-12-27)22-9-8-19(16-25-22)17-26-24(29)23-20(10-15-30-23)18-31-21-6-4-3-5-7-21/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,26,29)
InChIKeyXGFIDBMHONOUSK-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.04
Rot. Bonds8

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 78879225) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID78879225
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3occc3CSc3ccccc3)cn2)CC1
InChIInChI=1S/C24H28N4O2S/c1-2-27-11-13-28(14-12-27)22-9-8-19(16-25-22)17-26-24(29)23-20(10-15-30-23)18-31-21-6-4-3-5-7-21/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,26,29)
InChIKeyXGFIDBMHONOUSK-UHFFFAOYSA-N
XLogP4.04
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55744485
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55965063
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 18139639
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55735627
N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78853234
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55744182
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55744150
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540018
3-[[benzyl(methyl)carbamoyl]amino]-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 56540050

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 78879225) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is CCN1CCN(c2ccc(CNC(=O)c3occc3CSc3ccccc3)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is XGFIDBMHONOUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-2-27-11-13-28(14-12-27)22-9-8-19(16-25-22)17-26-24(29)23-20(10-15-30-23)18-31-21-6-4-3-5-7-21/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,26,29).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 78879225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).