5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide

C13H21N3O2 — CID 171489994

IUPAC5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CN[C@@H](CO)C(C)C)cn1
InChIInChI=1S/C13H21N3O2/c1-9(2)12(8-17)16-7-10-4-5-11(15-6-10)13(18)14-3/h4-6,9,12,16-17H,7-8H2,1-3H3,(H,14,18)/t12-/m0/s1
InChIKeyLRAPOSJXBWYVCX-LBPRGKRZSA-N
MW251.33 g/mol
LogP0.55
Rot. Bonds6

About 5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide

5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide (PubChem CID 171489994) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide
PubChem CID171489994
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CN[C@@H](CO)C(C)C)cn1
InChIInChI=1S/C13H21N3O2/c1-9(2)12(8-17)16-7-10-4-5-11(15-6-10)13(18)14-3/h4-6,9,12,16-17H,7-8H2,1-3H3,(H,14,18)/t12-/m0/s1
InChIKeyLRAPOSJXBWYVCX-LBPRGKRZSA-N
XLogP0.55
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide (CID 171489994) is 5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(CN[C@@H](CO)C(C)C)cn1.
What is the InChIKey of 5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is LRAPOSJXBWYVCX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)12(8-17)16-7-10-4-5-11(15-6-10)13(18)14-3/h4-6,9,12,16-17H,7-8H2,1-3H3,(H,14,18)/t12-/m0/s1.
What are the key properties of 5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide?
5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171489994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).