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

C12H19N3O2 — CID 114055927

IUPACN-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
SMILESCCNC(=O)CN(C)c1ncccc1C(C)O
InChIInChI=1S/C12H19N3O2/c1-4-13-11(17)8-15(3)12-10(9(2)16)6-5-7-14-12/h5-7,9,16H,4,8H2,1-3H3,(H,13,17)
InChIKeyMFQDSKYDYDJPPY-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds5

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

N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide (PubChem CID 114055927) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
PubChem CID114055927
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
SMILESCCNC(=O)CN(C)c1ncccc1C(C)O
InChIInChI=1S/C12H19N3O2/c1-4-13-11(17)8-15(3)12-10(9(2)16)6-5-7-14-12/h5-7,9,16H,4,8H2,1-3H3,(H,13,17)
InChIKeyMFQDSKYDYDJPPY-UHFFFAOYSA-N
XLogP0.71
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
CID 114055994
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 114056297
N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide
CID 83132737
2-[(3-carbamothioylpyrazin-2-yl)-methylamino]-N-ethylacetamide
CID 62683608
2-[(3-chloro-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 133382755
1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol
CID 114056115
2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 63371318
N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
CID 114243207
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 80805134
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide?
The IUPAC name of N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide (CID 114055927) is N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide is CCNC(=O)CN(C)c1ncccc1C(C)O.
What is the InChIKey of N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide?
The InChIKey is MFQDSKYDYDJPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-13-11(17)8-15(3)12-10(9(2)16)6-5-7-14-12/h5-7,9,16H,4,8H2,1-3H3,(H,13,17).
What are the key properties of N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide?
N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide is sourced from PubChem (CID 114055927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).