3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide

C25H31N3O6 — CID 123553284

IUPAC3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(OC)cc2)cc(C2=NOC(C3COC(CO)CO3)C2)nc1C
InChIInChI=1S/C25H31N3O6/c1-4-19-15(2)27-21(22-10-23(34-28-22)24-14-32-18(12-29)13-33-24)9-20(19)25(30)26-11-16-5-7-17(31-3)8-6-16/h5-9,18,23-24,29H,4,10-14H2,1-3H3,(H,26,30)
InChIKeyAWXUZIBKLUBVKE-UHFFFAOYSA-N
MW469.54 g/mol
LogP2.16
Rot. Bonds8

About 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide

3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide (PubChem CID 123553284) has the molecular formula C25H31N3O6 and a molecular weight of 469.54 g/mol. Its IUPAC name is 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide
PubChem CID123553284
Molecular FormulaC25H31N3O6
Molecular Weight469.54 g/mol
Exact Mass469.22
IUPAC Name3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(OC)cc2)cc(C2=NOC(C3COC(CO)CO3)C2)nc1C
InChIInChI=1S/C25H31N3O6/c1-4-19-15(2)27-21(22-10-23(34-28-22)24-14-32-18(12-29)13-33-24)9-20(19)25(30)26-11-16-5-7-17(31-3)8-6-16/h5-9,18,23-24,29H,4,10-14H2,1-3H3,(H,26,30)
InChIKeyAWXUZIBKLUBVKE-UHFFFAOYSA-N
XLogP2.16
TPSA111.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide with MolForge

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Related Compounds

3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide
CID 123204399
N-[(3,4-dichlorophenyl)methyl]-6-[5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
CID 89388159
6-[(5S)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide
CID 89184521
6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrimidine-4-carboxamide
CID 89184478
N-[(3-fluorophenyl)methyl]-6-[5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyrimidine-4-carboxamide
CID 89388165
6-[(5R)-5-[(2R,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 89388161
[(2S,5R)-5-[(5S)-3-[2-methyl-6-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]-1,4-dioxan-2-yl]methyl 2,2,2-trifluoroacetate
CID 89388126
1-[(2S,5R)-5-[(5S)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]-1,4-dioxan-2-yl]ethanesulfinic acid
CID 89388208
N-[(4-methoxyphenyl)methyl]-2-methyl-6-[5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
CID 71466413
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
7-methoxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812704
N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691868

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide (CID 123553284) is 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide is CCc1c(C(=O)NCc2ccc(OC)cc2)cc(C2=NOC(C3COC(CO)CO3)C2)nc1C.
What is the InChIKey of 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide?
The InChIKey is AWXUZIBKLUBVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O6/c1-4-19-15(2)27-21(22-10-23(34-28-22)24-14-32-18(12-29)13-33-24)9-20(19)25(30)26-11-16-5-7-17(31-3)8-6-16/h5-9,18,23-24,29H,4,10-14H2,1-3H3,(H,26,30).
What are the key properties of 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide?
3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 123553284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).