2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide

C26H30N4O5S — CID 3728266

IUPAC2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCSCc2ccco2)c(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)n1
InChIInChI=1S/C26H30N4O5S/c1-18-6-7-21(25(32)27-10-15-36-17-20-4-2-13-34-20)24(29-18)19-8-11-30(12-9-19)23(31)16-28-26(33)22-5-3-14-35-22/h2-7,13-14,19H,8-12,15-17H2,1H3,(H,27,32)(H,28,33)
InChIKeyRPHAYAPNFWYJGT-UHFFFAOYSA-N
MW510.62 g/mol
LogP3.38
Rot. Bonds10

About 2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide

2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 3728266) has the molecular formula C26H30N4O5S and a molecular weight of 510.62 g/mol. Its IUPAC name is 2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID3728266
Molecular FormulaC26H30N4O5S
Molecular Weight510.62 g/mol
Exact Mass510.19
IUPAC Name2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCSCc2ccco2)c(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)n1
InChIInChI=1S/C26H30N4O5S/c1-18-6-7-21(25(32)27-10-15-36-17-20-4-2-13-34-20)24(29-18)19-8-11-30(12-9-19)23(31)16-28-26(33)22-5-3-14-35-22/h2-7,13-14,19H,8-12,15-17H2,1H3,(H,27,32)(H,28,33)
InChIKeyRPHAYAPNFWYJGT-UHFFFAOYSA-N
XLogP3.38
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
CID 3350598
N-[2-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 3863110
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867138
2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 74229207
N-cyclohexyl-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852151
N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3703018
6-methyl-N-(3-methylbutyl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42852034
6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3762431
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 42851957

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide (CID 3728266) is 2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCSCc2ccco2)c(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)n1.
What is the InChIKey of 2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is RPHAYAPNFWYJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5S/c1-18-6-7-21(25(32)27-10-15-36-17-20-4-2-13-34-20)24(29-18)19-8-11-30(12-9-19)23(31)16-28-26(33)22-5-3-14-35-22/h2-7,13-14,19H,8-12,15-17H2,1H3,(H,27,32)(H,28,33).
What are the key properties of 2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide?
2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 3728266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).