2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide

C27H30N4O5 — CID 3307942

IUPAC2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)N2CCC(c3nc(C)ccc3C(=O)N(C)Cc3ccco3)CC2)c1
InChIInChI=1S/C27H30N4O5/c1-17-6-8-22(26(34)30(3)16-21-5-4-14-36-21)25(28-17)19-10-12-31(13-11-19)27(35)23-15-20(29-18(2)32)7-9-24(23)33/h4-9,14-15,19,33H,10-13,16H2,1-3H3,(H,29,32)
InChIKeyNSHNIKVBLGPDIX-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.94
Rot. Bonds6

About 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide

2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide (PubChem CID 3307942) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
PubChem CID3307942
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)N2CCC(c3nc(C)ccc3C(=O)N(C)Cc3ccco3)CC2)c1
InChIInChI=1S/C27H30N4O5/c1-17-6-8-22(26(34)30(3)16-21-5-4-14-36-21)25(28-17)19-10-12-31(13-11-19)27(35)23-15-20(29-18(2)32)7-9-24(23)33/h4-9,14-15,19,33H,10-13,16H2,1-3H3,(H,29,32)
InChIKeyNSHNIKVBLGPDIX-UHFFFAOYSA-N
XLogP3.94
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3471169
N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 3549936
[(1S)-2-[4-[3-[furan-2-ylmethyl(methyl)carbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 74225390
N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3865479
2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3703018
N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 6298335
N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852096
N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852094
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867138
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-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
CID 3350598
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 42852107

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide (CID 3307942) is 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide is CC(=O)Nc1ccc(O)c(C(=O)N2CCC(c3nc(C)ccc3C(=O)N(C)Cc3ccco3)CC2)c1.
What is the InChIKey of 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is NSHNIKVBLGPDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-17-6-8-22(26(34)30(3)16-21-5-4-14-36-21)25(28-17)19-10-12-31(13-11-19)27(35)23-15-20(29-18(2)32)7-9-24(23)33/h4-9,14-15,19,33H,10-13,16H2,1-3H3,(H,29,32).
What are the key properties of 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide?
2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 3307942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).