[3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate

C16H19N3O3 — CID 70163345

IUPAC[3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate
SMILESCCNc1c(COC(C)=O)ccnc1Nc1ccc(O)cc1
InChIInChI=1S/C16H19N3O3/c1-3-17-15-12(10-22-11(2)20)8-9-18-16(15)19-13-4-6-14(21)7-5-13/h4-9,17,21H,3,10H2,1-2H3,(H,18,19)
InChIKeyXTEIDTIZCABZCE-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.03
Rot. Bonds6

About [3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate

[3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate (PubChem CID 70163345) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate
PubChem CID70163345
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate
SMILESCCNc1c(COC(C)=O)ccnc1Nc1ccc(O)cc1
InChIInChI=1S/C16H19N3O3/c1-3-17-15-12(10-22-11(2)20)8-9-18-16(15)19-13-4-6-14(21)7-5-13/h4-9,17,21H,3,10H2,1-2H3,(H,18,19)
InChIKeyXTEIDTIZCABZCE-UHFFFAOYSA-N
XLogP3.03
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(ethylamino)-2-pyridinyl]amino]phenol
CID 70162911
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193
3-N-ethyl-4-methyl-2-N-(4-phenylmethoxyphenyl)pyridine-2,3-diamine
CID 70162528
(2-acetamido-3-fluoro-4-pyridinyl)methyl methyl carbonate
CID 156808791
(4-hydrazinylphenyl)methyl acetate
CID 123892480
tert-butyl 2-[4-[(3-amino-2-pyridinyl)amino]phenyl]acetate
CID 159451507
ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]acetate
CID 106537658
(2-propylphenyl)methyl acetate
CID 18363688
(2-chloropyrimidin-4-yl)methyl acetate
CID 121394527
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112799406
[2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate
CID 12940762
4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15294863

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate?
The IUPAC name of [3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate (CID 70163345) is [3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate.
What is the SMILES notation for [3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate?
The canonical SMILES for [3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate is CCNc1c(COC(C)=O)ccnc1Nc1ccc(O)cc1.
What is the InChIKey of [3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate?
The InChIKey is XTEIDTIZCABZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-17-15-12(10-22-11(2)20)8-9-18-16(15)19-13-4-6-14(21)7-5-13/h4-9,17,21H,3,10H2,1-2H3,(H,18,19).
What are the key properties of [3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate?
[3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate has a molecular weight of 301.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-2-(4-hydroxyanilino)-4-pyridinyl]methyl acetate is sourced from PubChem (CID 70163345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).