3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one

C14H22N2O2 — CID 29105671

IUPAC3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one
SMILESCCN(Cc1ccc[nH]c1=O)C[C@H]1CCCCO1
InChIInChI=1S/C14H22N2O2/c1-2-16(11-13-7-3-4-9-18-13)10-12-6-5-8-15-14(12)17/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyXBZQSFGUENNDQA-CYBMUJFWSA-N
MW250.34 g/mol
LogP1.77
Rot. Bonds5

About 3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one

3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one (PubChem CID 29105671) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one
PubChem CID29105671
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one
SMILESCCN(Cc1ccc[nH]c1=O)C[C@H]1CCCCO1
InChIInChI=1S/C14H22N2O2/c1-2-16(11-13-7-3-4-9-18-13)10-12-6-5-8-15-14(12)17/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyXBZQSFGUENNDQA-CYBMUJFWSA-N
XLogP1.77
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 95197102
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
CID 43591944
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 137313956
2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82981600
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 97155530
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one (CID 29105671) is 3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one is CCN(Cc1ccc[nH]c1=O)C[C@H]1CCCCO1.
What is the InChIKey of 3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one?
The InChIKey is XBZQSFGUENNDQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-16(11-13-7-3-4-9-18-13)10-12-6-5-8-15-14(12)17/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,15,17)/t13-/m1/s1.
What are the key properties of 3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one?
3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 29105671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).