N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide

C12H19N3O2 — CID 83132737

IUPACN-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide
SMILESCCNC(=O)CN(C)c1ccc(C(C)O)nc1
InChIInChI=1S/C12H19N3O2/c1-4-13-12(17)8-15(3)10-5-6-11(9(2)16)14-7-10/h5-7,9,16H,4,8H2,1-3H3,(H,13,17)
InChIKeyZPTMEVODKWUXKG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds5

About N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide

N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide (PubChem CID 83132737) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide
PubChem CID83132737
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide
SMILESCCNC(=O)CN(C)c1ccc(C(C)O)nc1
InChIInChI=1S/C12H19N3O2/c1-4-13-12(17)8-15(3)10-5-6-11(9(2)16)14-7-10/h5-7,9,16H,4,8H2,1-3H3,(H,13,17)
InChIKeyZPTMEVODKWUXKG-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

2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide
CID 83131702
N-ethyl-2-[ethyl-[6-(1-hydroxyethyl)-3-pyridinyl]amino]acetamide
CID 83132139
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide
CID 103938368
(1R)-1-[5-[methyl(prop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83132695
(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
CID 83132268
N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
CID 114055927
2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 83131620
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132456
(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol
CID 83131859
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide?
The IUPAC name of N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide (CID 83132737) is N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide is CCNC(=O)CN(C)c1ccc(C(C)O)nc1.
What is the InChIKey of N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide?
The InChIKey is ZPTMEVODKWUXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-13-12(17)8-15(3)10-5-6-11(9(2)16)14-7-10/h5-7,9,16H,4,8H2,1-3H3,(H,13,17).
What are the key properties of N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide?
N-ethyl-2-[[6-(1-hydroxyethyl)-3-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-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide is sourced from PubChem (CID 83132737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).