1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone

C13H20N2O3 — CID 114055532

IUPAC1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
SMILESCOCCN(CCOC)c1ncccc1C(C)=O
InChIInChI=1S/C13H20N2O3/c1-11(16)12-5-4-6-14-13(12)15(7-9-17-2)8-10-18-3/h4-6H,7-10H2,1-3H3
InChIKeyLYSCDPITIHJJTM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.38
Rot. Bonds8

About 1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone

1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone (PubChem CID 114055532) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
PubChem CID114055532
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
SMILESCOCCN(CCOC)c1ncccc1C(C)=O
InChIInChI=1S/C13H20N2O3/c1-11(16)12-5-4-6-14-13(12)15(7-9-17-2)8-10-18-3/h4-6H,7-10H2,1-3H3
InChIKeyLYSCDPITIHJJTM-UHFFFAOYSA-N
XLogP1.38
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 115538155
methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 113331207
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 54985985
3-bromo-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447485
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690234
2-hydrazinyl-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62241293
3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 61428057
1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone
CID 61427259
3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62684960
1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone
CID 114055594

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone (CID 114055532) is 1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone is COCCN(CCOC)c1ncccc1C(C)=O.
What is the InChIKey of 1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone?
The InChIKey is LYSCDPITIHJJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(16)12-5-4-6-14-13(12)15(7-9-17-2)8-10-18-3/h4-6H,7-10H2,1-3H3.
What are the key properties of 1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone?
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone has a molecular weight of 252.31 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 114055532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).