N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide

C17H22N2O4 — CID 56762002

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NCC2CC3C=CC2C3)c(CO)cc1=O
InChIInChI=1S/C17H22N2O4/c1-23-16-8-19(14(10-20)6-15(16)21)9-17(22)18-7-13-5-11-2-3-12(13)4-11/h2-3,6,8,11-13,20H,4-5,7,9-10H2,1H3,(H,18,22)
InChIKeyCIOVCFSTYXBSCT-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.68
Rot. Bonds6

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide (PubChem CID 56762002) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
PubChem CID56762002
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NCC2CC3C=CC2C3)c(CO)cc1=O
InChIInChI=1S/C17H22N2O4/c1-23-16-8-19(14(10-20)6-15(16)21)9-17(22)18-7-13-5-11-2-3-12(13)4-11/h2-3,6,8,11-13,20H,4-5,7,9-10H2,1H3,(H,18,22)
InChIKeyCIOVCFSTYXBSCT-UHFFFAOYSA-N
XLogP0.68
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide (CID 56762002) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)NCC2CC3C=CC2C3)c(CO)cc1=O.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The InChIKey is CIOVCFSTYXBSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-23-16-8-19(14(10-20)6-15(16)21)9-17(22)18-7-13-5-11-2-3-12(13)4-11/h2-3,6,8,11-13,20H,4-5,7,9-10H2,1H3,(H,18,22).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 56762002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).