N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide

C25H26N4O6 — CID 6298335

IUPACN-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)n1
InChIInChI=1S/C25H26N4O6/c1-17-5-8-21(25(31)27(2)16-20-4-3-15-34-20)24(26-17)18-11-13-28(14-12-18)22(30)9-6-19-7-10-23(35-19)29(32)33/h3-10,15,18H,11-14,16H2,1-2H3/b9-6+
InChIKeyLALRGYFLBLMJAS-RMKNXTFCSA-N
MW478.51 g/mol
LogP4.18
Rot. Bonds7

About N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide

N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 6298335) has the molecular formula C25H26N4O6 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID6298335
Molecular FormulaC25H26N4O6
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC NameN-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)n1
InChIInChI=1S/C25H26N4O6/c1-17-5-8-21(25(31)27(2)16-20-4-3-15-34-20)24(26-17)18-11-13-28(14-12-18)22(30)9-6-19-7-10-23(35-19)29(32)33/h3-10,15,18H,11-14,16H2,1-2H3/b9-6+
InChIKeyLALRGYFLBLMJAS-RMKNXTFCSA-N
XLogP4.18
TPSA122.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 6177910
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3471169
[(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)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 3549936
2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3307942
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
(E)-1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
CID 5356520
N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852094
2-[1-[(E)-3-(4,5-dimethylfuran-2-yl)prop-2-enoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 6116627
(E)-3-(5-nitrofuran-2-yl)-1-piperazin-1-ylprop-2-en-1-one
CID 70591698
2-[[2-[1-[3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione
CID 3499182

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 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) is N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is LALRGYFLBLMJAS-RMKNXTFCSA-N. The full InChI is InChI=1S/C25H26N4O6/c1-17-5-8-21(25(31)27(2)16-20-4-3-15-34-20)24(26-17)18-11-13-28(14-12-18)22(30)9-6-19-7-10-23(35-19)29(32)33/h3-10,15,18H,11-14,16H2,1-2H3/b9-6+.
What are the key properties of N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide?
N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 478.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 6298335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).