[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate

C13H19N3O3 — CID 89443070

IUPAC[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate
SMILESCC(=O)OCC1CN(Cc2ccncc2N)CCO1
InChIInChI=1S/C13H19N3O3/c1-10(17)19-9-12-8-16(4-5-18-12)7-11-2-3-15-6-13(11)14/h2-3,6,12H,4-5,7-9,14H2,1H3
InChIKeyGYJWUNFHUDBDFB-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.43
Rot. Bonds4

About [4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate

[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate (PubChem CID 89443070) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate.

Molecular Properties

Compound Name[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate
PubChem CID89443070
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate
SMILESCC(=O)OCC1CN(Cc2ccncc2N)CCO1
InChIInChI=1S/C13H19N3O3/c1-10(17)19-9-12-8-16(4-5-18-12)7-11-2-3-15-6-13(11)14/h2-3,6,12H,4-5,7-9,14H2,1H3
InChIKeyGYJWUNFHUDBDFB-UHFFFAOYSA-N
XLogP0.43
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate
CID 89451428
4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine
CID 77085876
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844442
[5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate
CID 3742288
N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide
CID 95229780
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
4-(azepan-1-ylmethyl)pyridin-3-amine
CID 117212629
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235
[5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate
CID 74226222
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
[5-[[2-[[2-methoxy-4-(3-oxobutyl)phenoxy]methyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate
CID 74225382
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247

Frequently Asked Questions

What is the IUPAC name of [4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate?
The IUPAC name of [4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate (CID 89443070) is [4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate.
What is the SMILES notation for [4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate?
The canonical SMILES for [4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate is CC(=O)OCC1CN(Cc2ccncc2N)CCO1.
What is the InChIKey of [4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate?
The InChIKey is GYJWUNFHUDBDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(17)19-9-12-8-16(4-5-18-12)7-11-2-3-15-6-13(11)14/h2-3,6,12H,4-5,7-9,14H2,1H3.
What are the key properties of [4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate?
[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate has a molecular weight of 265.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate is sourced from PubChem (CID 89443070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).