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

C18H19N3O4 — CID 75536850

IUPACN-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC(=O)c2ccccc2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C18H19N3O4/c22-16-14(21-18(24)12-4-2-1-3-5-12)11-25-15(16)10-20-17(23)13-6-8-19-9-7-13/h1-9,14-16,22H,10-11H2,(H,20,23)(H,21,24)/t14-,15-,16+/m1/s1
InChIKeyQFQLPUIKMWLADB-OAGGEKHMSA-N
MW341.37 g/mol
LogP0.37
Rot. Bonds5

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

N-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 75536850) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID75536850
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC(=O)c2ccccc2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C18H19N3O4/c22-16-14(21-18(24)12-4-2-1-3-5-12)11-25-15(16)10-20-17(23)13-6-8-19-9-7-13/h1-9,14-16,22H,10-11H2,(H,20,23)(H,21,24)/t14-,15-,16+/m1/s1
InChIKeyQFQLPUIKMWLADB-OAGGEKHMSA-N
XLogP0.37
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.37
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-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (CID 75536850) is N-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1OC[C@@H](NC(=O)c2ccccc2)[C@@H]1O)c1ccncc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is QFQLPUIKMWLADB-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-16-14(21-18(24)12-4-2-1-3-5-12)11-25-15(16)10-20-17(23)13-6-8-19-9-7-13/h1-9,14-16,22H,10-11H2,(H,20,23)(H,21,24)/t14-,15-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2R,3S,4R)-4-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 0.37, 5 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-benzamido-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75536850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).