N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide

C20H26N2O2 — CID 75288646

IUPACN-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide
SMILESCC=Cn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C
InChIInChI=1S/C20H26N2O2/c1-3-4-22-12-17(18(23)5-13(22)2)19(24)21-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,12,14-16H,6-11H2,1-2H3,(H,21,24)
InChIKeyKGLLYGULEHNOEZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.35
Rot. Bonds3

About N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide

N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide (PubChem CID 75288646) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide
PubChem CID75288646
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide
SMILESCC=Cn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C
InChIInChI=1S/C20H26N2O2/c1-3-4-22-12-17(18(23)5-13(22)2)19(24)21-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,12,14-16H,6-11H2,1-2H3,(H,21,24)
InChIKeyKGLLYGULEHNOEZ-UHFFFAOYSA-N
XLogP3.35
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide (CID 75288646) is N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide is CC=Cn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C.
What is the InChIKey of N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide?
The InChIKey is KGLLYGULEHNOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-4-22-12-17(18(23)5-13(22)2)19(24)21-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,12,14-16H,6-11H2,1-2H3,(H,21,24).
What are the key properties of N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide?
N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6-methyl-4-oxo-1-prop-1-enylpyridine-3-carboxamide is sourced from PubChem (CID 75288646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).