2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol

C16H21N3O — CID 82216622

IUPAC2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol
SMILESCCN(CCc1ccncc1)CC(O)c1ccccn1
InChIInChI=1S/C16H21N3O/c1-2-19(12-8-14-6-10-17-11-7-14)13-16(20)15-5-3-4-9-18-15/h3-7,9-11,16,20H,2,8,12-13H2,1H3
InChIKeyQWZDCAOIPQRVEY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.07
Rot. Bonds7

About 2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol

2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol (PubChem CID 82216622) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol
PubChem CID82216622
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol
SMILESCCN(CCc1ccncc1)CC(O)c1ccccn1
InChIInChI=1S/C16H21N3O/c1-2-19(12-8-14-6-10-17-11-7-14)13-16(20)15-5-3-4-9-18-15/h3-7,9-11,16,20H,2,8,12-13H2,1H3
InChIKeyQWZDCAOIPQRVEY-UHFFFAOYSA-N
XLogP2.07
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82071464
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074199
1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 115940386
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151
N-[dideuterio(pyridin-2-yl)methyl]-N-ethyl-2-pyridin-2-ylethanamine
CID 101128708
1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82074425
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
2-chloro-1-pyridin-2-ylethanol
CID 22145518
1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 74229486
1,2-dipyridin-2-ylethanol
CID 11458306

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol?
The IUPAC name of 2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol (CID 82216622) is 2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol?
The canonical SMILES for 2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol is CCN(CCc1ccncc1)CC(O)c1ccccn1.
What is the InChIKey of 2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol?
The InChIKey is QWZDCAOIPQRVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19(12-8-14-6-10-17-11-7-14)13-16(20)15-5-3-4-9-18-15/h3-7,9-11,16,20H,2,8,12-13H2,1H3.
What are the key properties of 2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol?
2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol has a molecular weight of 271.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol is sourced from PubChem (CID 82216622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).