N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide

C17H20N4O3 — CID 75536793

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C17H20N4O3/c22-16-14(20-9-13-3-1-2-6-19-13)11-24-15(16)10-21-17(23)12-4-7-18-8-5-12/h1-8,14-16,20,22H,9-11H2,(H,21,23)/t14-,15-,16+/m1/s1
InChIKeyFYPZSEQUSAFLAZ-OAGGEKHMSA-N
MW328.37 g/mol
LogP0.12
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide

N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 75536793) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID75536793
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C17H20N4O3/c22-16-14(20-9-13-3-1-2-6-19-13)11-24-15(16)10-21-17(23)12-4-7-18-8-5-12/h1-8,14-16,20,22H,9-11H2,(H,21,23)/t14-,15-,16+/m1/s1
InChIKeyFYPZSEQUSAFLAZ-OAGGEKHMSA-N
XLogP0.12
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide (CID 75536793) is N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccncc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is FYPZSEQUSAFLAZ-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16-14(20-9-13-3-1-2-6-19-13)11-24-15(16)10-21-17(23)12-4-7-18-8-5-12/h1-8,14-16,20,22H,9-11H2,(H,21,23)/t14-,15-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75536793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).