N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide

C13H19N3O2 — CID 114055994

IUPACN-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
SMILESC[C@H](O)c1cccnc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C13H19N3O2/c1-9(17)11-4-3-7-14-13(11)16(2)8-12(18)15-10-5-6-10/h3-4,7,9-10,17H,5-6,8H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyNWMXAUNLPRIFEV-VIFPVBQESA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds5

About N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide

N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide (PubChem CID 114055994) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
PubChem CID114055994
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
SMILESC[C@H](O)c1cccnc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C13H19N3O2/c1-9(17)11-4-3-7-14-13(11)16(2)8-12(18)15-10-5-6-10/h3-4,7,9-10,17H,5-6,8H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyNWMXAUNLPRIFEV-VIFPVBQESA-N
XLogP0.85
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
CID 114055927
N-cyclopropyl-2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]acetamide
CID 78940669
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
CID 114055853
2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide
CID 80511338
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 63728145
N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide
CID 99823256
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide
CID 80821198
N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide
CID 124850332
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
CID 112698989
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide (CID 114055994) is N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide is C[C@H](O)c1cccnc1N(C)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide?
The InChIKey is NWMXAUNLPRIFEV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(17)11-4-3-7-14-13(11)16(2)8-12(18)15-10-5-6-10/h3-4,7,9-10,17H,5-6,8H2,1-2H3,(H,15,18)/t9-/m0/s1.
What are the key properties of N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide?
N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide is sourced from PubChem (CID 114055994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).