N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide

C20H20N2O3 — CID 71787922

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCC(O)c2cccc3ccccc23)c1=O
InChIInChI=1S/C20H20N2O3/c1-22-13-5-10-17(20(22)25)19(24)21-12-11-18(23)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,18,23H,11-12H2,1H3,(H,21,24)
InChIKeyIDMBKPYPEILHOD-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.39
Rot. Bonds5

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 71787922) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID71787922
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCC(O)c2cccc3ccccc23)c1=O
InChIInChI=1S/C20H20N2O3/c1-22-13-5-10-17(20(22)25)19(24)21-12-11-18(23)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,18,23H,11-12H2,1H3,(H,21,24)
InChIKeyIDMBKPYPEILHOD-UHFFFAOYSA-N
XLogP2.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide (CID 71787922) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCCC(O)c2cccc3ccccc23)c1=O.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is IDMBKPYPEILHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22-13-5-10-17(20(22)25)19(24)21-12-11-18(23)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,18,23H,11-12H2,1H3,(H,21,24).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71787922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).