N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C25H33N3O3 — CID 56859800

IUPACN-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(c1ccco1)N(C)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C25H33N3O3/c1-15(23-4-3-7-31-23)28(2)14-20-5-6-21(25(30)27-20)24(29)26-13-22-18-9-16-8-17(11-18)12-19(22)10-16/h3-7,15-19,22H,8-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRZOQLWXTGKESRD-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.96
Rot. Bonds7

About N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56859800) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56859800
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(c1ccco1)N(C)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C25H33N3O3/c1-15(23-4-3-7-31-23)28(2)14-20-5-6-21(25(30)27-20)24(29)26-13-22-18-9-16-8-17(11-18)12-19(22)10-16/h3-7,15-19,22H,8-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRZOQLWXTGKESRD-UHFFFAOYSA-N
XLogP3.96
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 26316200
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CID 26336790
N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 42451071
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126463944
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56856974
N-[(1S)-1-(furan-2-yl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976314
N-(1,4-dioxan-2-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45200246
6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65067582
3-chloro-2-[[1-(furan-2-yl)ethyl-methylamino]methyl]benzoic acid
CID 138003731
methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate
CID 86866759

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56859800) is N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide is CC(c1ccco1)N(C)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1.
What is the InChIKey of N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RZOQLWXTGKESRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-15(23-4-3-7-31-23)28(2)14-20-5-6-21(25(30)27-20)24(29)26-13-22-18-9-16-8-17(11-18)12-19(22)10-16/h3-7,15-19,22H,8-14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56859800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).