3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide

C18H20N2O4 — CID 91768844

IUPAC3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ncccc1O
InChIInChI=1S/C18H20N2O4/c21-15-7-4-9-19-17(15)18(22)20-14-8-10-23-12-16(14)24-11-13-5-2-1-3-6-13/h1-7,9,14,16,21H,8,10-12H2,(H,20,22)/t14-,16-/m1/s1
InChIKeyPLOTUZCLHSICNE-GDBMZVCRSA-N
MW328.37 g/mol
LogP1.89
Rot. Bonds5

About 3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide

3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide (PubChem CID 91768844) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
PubChem CID91768844
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ncccc1O
InChIInChI=1S/C18H20N2O4/c21-15-7-4-9-19-17(15)18(22)20-14-8-10-23-12-16(14)24-11-13-5-2-1-3-6-13/h1-7,9,14,16,21H,8,10-12H2,(H,20,22)/t14-,16-/m1/s1
InChIKeyPLOTUZCLHSICNE-GDBMZVCRSA-N
XLogP1.89
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide
CID 156609597
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648
3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91763043
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
CID 91792659
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 91760856
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 91787671
2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
CID 91765136
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
CID 91769972

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide (CID 91768844) is 3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide?
The InChIKey is PLOTUZCLHSICNE-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-15-7-4-9-19-17(15)18(22)20-14-8-10-23-12-16(14)24-11-13-5-2-1-3-6-13/h1-7,9,14,16,21H,8,10-12H2,(H,20,22)/t14-,16-/m1/s1.
What are the key properties of 3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide?
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 91768844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).