2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide

C25H35N5O4S — CID 3350598

IUPAC2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCSCc2ccco2)c(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)n1
InChIInChI=1S/C25H35N5O4S/c1-18-6-7-21(25(33)26-12-16-35-17-20-5-4-15-34-20)24(27-18)19-10-13-30(14-11-19)23(32)9-8-22(31)28-29(2)3/h4-7,15,19H,8-14,16-17H2,1-3H3,(H,26,33)(H,28,31)
InChIKeyUSQGLGWPHKRXFQ-UHFFFAOYSA-N
MW501.65 g/mol
LogP2.73
Rot. Bonds11

About 2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide

2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 3350598) has the molecular formula C25H35N5O4S and a molecular weight of 501.65 g/mol. Its IUPAC name is 2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID3350598
Molecular FormulaC25H35N5O4S
Molecular Weight501.65 g/mol
Exact Mass501.24
IUPAC Name2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCSCc2ccco2)c(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)n1
InChIInChI=1S/C25H35N5O4S/c1-18-6-7-21(25(33)26-12-16-35-17-20-5-4-15-34-20)24(27-18)19-10-13-30(14-11-19)23(32)9-8-22(31)28-29(2)3/h4-7,15,19H,8-14,16-17H2,1-3H3,(H,26,33)(H,28,31)
InChIKeyUSQGLGWPHKRXFQ-UHFFFAOYSA-N
XLogP2.73
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.65
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
CID 3728266
2-[1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
CID 3741217
4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide
CID 3821130
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867138
N-cyclohexyl-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852151
2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3703018
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3471169
6-methyl-2-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3852421
6-methyl-N-(3-methylbutyl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42852034
2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3307942
N-[2-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 3863110

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide (CID 3350598) is 2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCSCc2ccco2)c(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)n1.
What is the InChIKey of 2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is USQGLGWPHKRXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4S/c1-18-6-7-21(25(33)26-12-16-35-17-20-5-4-15-34-20)24(27-18)19-10-13-30(14-11-19)23(32)9-8-22(31)28-29(2)3/h4-7,15,19H,8-14,16-17H2,1-3H3,(H,26,33)(H,28,31).
What are the key properties of 2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide?
2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 501.65 g/mol, XLogP of 2.73, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 3350598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).