3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide

C13H21N3O2 — CID 114056297

IUPAC3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ncccc1[C@H](C)O
InChIInChI=1S/C13H21N3O2/c1-9(13(18)14-3)8-16(4)12-11(10(2)17)6-5-7-15-12/h5-7,9-10,17H,8H2,1-4H3,(H,14,18)/t9?,10-/m0/s1
InChIKeyPKTUYUGKWOHINC-AXDSSHIGSA-N
MW251.33 g/mol
LogP0.95
Rot. Bonds5

About 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide

3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 114056297) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID114056297
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ncccc1[C@H](C)O
InChIInChI=1S/C13H21N3O2/c1-9(13(18)14-3)8-16(4)12-11(10(2)17)6-5-7-15-12/h5-7,9-10,17H,8H2,1-4H3,(H,14,18)/t9?,10-/m0/s1
InChIKeyPKTUYUGKWOHINC-AXDSSHIGSA-N
XLogP0.95
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106914478
N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
CID 114055927
N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
CID 114055994
3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916440
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
CID 114243207
3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916395
1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol
CID 114056115
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide
CID 106917464
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916443

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide (CID 114056297) is 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1ncccc1[C@H](C)O.
What is the InChIKey of 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is PKTUYUGKWOHINC-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(13(18)14-3)8-16(4)12-11(10(2)17)6-5-7-15-12/h5-7,9-10,17H,8H2,1-4H3,(H,14,18)/t9?,10-/m0/s1.
What are the key properties of 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide?
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 114056297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).