N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide

C21H26N2O4 — CID 18682229

IUPACN-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2CC(C)OC(C)(Cc3ccccc3)C2)c1O
InChIInChI=1S/C21H26N2O4/c1-14-11-16(13-21(2,27-14)12-15-7-5-4-6-8-15)23-20(25)18-19(24)17(26-3)9-10-22-18/h4-10,14,16,24H,11-13H2,1-3H3,(H,23,25)
InChIKeyMMGSQSJOSRFWLJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.09
Rot. Bonds5

About N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide

N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 18682229) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID18682229
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2CC(C)OC(C)(Cc3ccccc3)C2)c1O
InChIInChI=1S/C21H26N2O4/c1-14-11-16(13-21(2,27-14)12-15-7-5-4-6-8-15)23-20(25)18-19(24)17(26-3)9-10-22-18/h4-10,14,16,24H,11-13H2,1-3H3,(H,23,25)
InChIKeyMMGSQSJOSRFWLJ-UHFFFAOYSA-N
XLogP3.09
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 18682229) is N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)NC2CC(C)OC(C)(Cc3ccccc3)C2)c1O.
What is the InChIKey of N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is MMGSQSJOSRFWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-11-16(13-21(2,27-14)12-15-7-5-4-6-8-15)23-20(25)18-19(24)17(26-3)9-10-22-18/h4-10,14,16,24H,11-13H2,1-3H3,(H,23,25).
What are the key properties of N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide?
N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 18682229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).