N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide

C17H22N4O4S — CID 42857295

IUPACN-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
SMILESCC(C)S(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cn2)CC1
InChIInChI=1S/C17H22N4O4S/c1-13(2)26(23,24)21-9-7-20(8-10-21)16-6-5-14(12-18-16)19-17(22)15-4-3-11-25-15/h3-6,11-13H,7-10H2,1-2H3,(H,19,22)
InChIKeyPFZBOGBUUKFSLW-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.79
Rot. Bonds5

About N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide

N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide (PubChem CID 42857295) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
PubChem CID42857295
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
SMILESCC(C)S(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cn2)CC1
InChIInChI=1S/C17H22N4O4S/c1-13(2)26(23,24)21-9-7-20(8-10-21)16-6-5-14(12-18-16)19-17(22)15-4-3-11-25-15/h3-6,11-13H,7-10H2,1-2H3,(H,19,22)
InChIKeyPFZBOGBUUKFSLW-UHFFFAOYSA-N
XLogP1.79
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476
N-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42691393
N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46084240
N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46054113
N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956
N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42850252
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 46157166
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 30266978
N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46053082
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42856931

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide (CID 42857295) is N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide is CC(C)S(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cn2)CC1.
What is the InChIKey of N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The InChIKey is PFZBOGBUUKFSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-13(2)26(23,24)21-9-7-20(8-10-21)16-6-5-14(12-18-16)19-17(22)15-4-3-11-25-15/h3-6,11-13H,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide?
N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 42857295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).