N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C21H22N4O3 — CID 164629328

IUPACN-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C[C@@H]1O)c1cccnc1
InChIInChI=1S/C21H22N4O3/c26-19-13-25(10-8-18(19)24-20(27)16-7-4-9-22-11-16)12-17-14-28-21(23-17)15-5-2-1-3-6-15/h1-7,9,11,14,18-19,26H,8,10,12-13H2,(H,24,27)/t18-,19-/m0/s1
InChIKeyLZNMDRNGXSSUCJ-OALUTQOASA-N
MW378.43 g/mol
LogP2.10
Rot. Bonds5

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

N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 164629328) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID164629328
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C[C@@H]1O)c1cccnc1
InChIInChI=1S/C21H22N4O3/c26-19-13-25(10-8-18(19)24-20(27)16-7-4-9-22-11-16)12-17-14-28-21(23-17)15-5-2-1-3-6-15/h1-7,9,11,14,18-19,26H,8,10,12-13H2,(H,24,27)/t18-,19-/m0/s1
InChIKeyLZNMDRNGXSSUCJ-OALUTQOASA-N
XLogP2.10
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 164629328) is N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(N[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C[C@@H]1O)c1cccnc1.
What is the InChIKey of N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is LZNMDRNGXSSUCJ-OALUTQOASA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19-13-25(10-8-18(19)24-20(27)16-7-4-9-22-11-16)12-17-14-28-21(23-17)15-5-2-1-3-6-15/h1-7,9,11,14,18-19,26H,8,10,12-13H2,(H,24,27)/t18-,19-/m0/s1.
What are the key properties of N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-hydroxy-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 164629328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).