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

C17H27N3O3 — CID 75536518

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O
InChIInChI=1S/C17H27N3O3/c1-17(2,3)8-15(21)20-10-14-16(22)13(11-23-14)19-9-12-6-4-5-7-18-12/h4-7,13-14,16,19,22H,8-11H2,1-3H3,(H,20,21)/t13-,14-,16+/m1/s1
InChIKeyQDHIMCCZPSZXJT-FMKPAKJESA-N
MW321.42 g/mol
LogP0.85
Rot. Bonds6

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

N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 75536518) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID75536518
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O
InChIInChI=1S/C17H27N3O3/c1-17(2,3)8-15(21)20-10-14-16(22)13(11-23-14)19-9-12-6-4-5-7-18-12/h4-7,13-14,16,19,22H,8-11H2,1-3H3,(H,20,21)/t13-,14-,16+/m1/s1
InChIKeyQDHIMCCZPSZXJT-FMKPAKJESA-N
XLogP0.85
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.85
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)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide (CID 75536518) is N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is QDHIMCCZPSZXJT-FMKPAKJESA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)8-15(21)20-10-14-16(22)13(11-23-14)19-9-12-6-4-5-7-18-12/h4-7,13-14,16,19,22H,8-11H2,1-3H3,(H,20,21)/t13-,14-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 321.42 g/mol, XLogP of 0.85, 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)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 75536518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).