N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide

C18H20FN3O3 — CID 75536794

IUPACN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C18H20FN3O3/c19-14-3-1-12(2-4-14)9-21-15-11-25-16(17(15)23)10-22-18(24)13-5-7-20-8-6-13/h1-8,15-17,21,23H,9-11H2,(H,22,24)/t15-,16-,17+/m1/s1
InChIKeyVXEMMJIZWKLUQE-ZACQAIPSSA-N
MW345.37 g/mol
LogP0.87
Rot. Bonds6

About N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide

N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 75536794) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID75536794
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C18H20FN3O3/c19-14-3-1-12(2-4-14)9-21-15-11-25-16(17(15)23)10-22-18(24)13-5-7-20-8-6-13/h1-8,15-17,21,23H,9-11H2,(H,22,24)/t15-,16-,17+/m1/s1
InChIKeyVXEMMJIZWKLUQE-ZACQAIPSSA-N
XLogP0.87
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (CID 75536794) is N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccncc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is VXEMMJIZWKLUQE-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-14-3-1-12(2-4-14)9-21-15-11-25-16(17(15)23)10-22-18(24)13-5-7-20-8-6-13/h1-8,15-17,21,23H,9-11H2,(H,22,24)/t15-,16-,17+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75536794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).