[4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone

C20H27N3O3 — CID 13362185

IUPAC[4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone
SMILESCN(C)CCOc1ccc(C(=O)c2ccc(OCCN(C)C)nc2)cc1
InChIInChI=1S/C20H27N3O3/c1-22(2)11-13-25-18-8-5-16(6-9-18)20(24)17-7-10-19(21-15-17)26-14-12-23(3)4/h5-10,15H,11-14H2,1-4H3
InChIKeyBZPWIJQACNWPBH-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.19
Rot. Bonds10

About [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone

[4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone (PubChem CID 13362185) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone
PubChem CID13362185
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name[4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone
SMILESCN(C)CCOc1ccc(C(=O)c2ccc(OCCN(C)C)nc2)cc1
InChIInChI=1S/C20H27N3O3/c1-22(2)11-13-25-18-8-5-16(6-9-18)20(24)17-7-10-19(21-15-17)26-14-12-23(3)4/h5-10,15H,11-14H2,1-4H3
InChIKeyBZPWIJQACNWPBH-UHFFFAOYSA-N
XLogP2.19
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone with MolForge

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Related Compounds

[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide
CID 167918130
1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentan-1-one
CID 138635015
6-butoxypyridine-3-carboxamide
CID 506622
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
CID 3079549
4-[2-(dimethylamino)ethoxy]-6-[6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonyl]-2-methylxanthen-9-one
CID 139462518
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide
CID 167979688

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone?
The IUPAC name of [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone (CID 13362185) is [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone is CN(C)CCOc1ccc(C(=O)c2ccc(OCCN(C)C)nc2)cc1.
What is the InChIKey of [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone?
The InChIKey is BZPWIJQACNWPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22(2)11-13-25-18-8-5-16(6-9-18)20(24)17-7-10-19(21-15-17)26-14-12-23(3)4/h5-10,15H,11-14H2,1-4H3.
What are the key properties of [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone?
[4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone has a molecular weight of 357.45 g/mol, XLogP of 2.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone is sourced from PubChem (CID 13362185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).