N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide

C22H23N3O4 — CID 75366965

IUPACN-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccncc1
InChIInChI=1S/C22H23N3O4/c26-19-7-6-18(12-17-13-20(29-25-17)15-4-2-1-3-5-15)28-21(19)14-24-22(27)16-8-10-23-11-9-16/h1-5,8-11,13,18-19,21,26H,6-7,12,14H2,(H,24,27)/t18-,19-,21+/m0/s1
InChIKeyZENKZFSDFRRVRC-IRFCIJBXSA-N
MW393.44 g/mol
LogP2.62
Rot. Bonds6

About N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide

N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 75366965) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID75366965
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccncc1
InChIInChI=1S/C22H23N3O4/c26-19-7-6-18(12-17-13-20(29-25-17)15-4-2-1-3-5-15)28-21(19)14-24-22(27)16-8-10-23-11-9-16/h1-5,8-11,13,18-19,21,26H,6-7,12,14H2,(H,24,27)/t18-,19-,21+/m0/s1
InChIKeyZENKZFSDFRRVRC-IRFCIJBXSA-N
XLogP2.62
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide (CID 75366965) is N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O)c1ccncc1.
What is the InChIKey of N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is ZENKZFSDFRRVRC-IRFCIJBXSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-19-7-6-18(12-17-13-20(29-25-17)15-4-2-1-3-5-15)28-21(19)14-24-22(27)16-8-10-23-11-9-16/h1-5,8-11,13,18-19,21,26H,6-7,12,14H2,(H,24,27)/t18-,19-,21+/m0/s1.
What are the key properties of N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75366965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).