[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H17N3O3 — CID 113277915

IUPAC[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNCc1cc(C(=O)N2CCOC(CO)C2)ccn1
InChIInChI=1S/C12H17N3O3/c13-6-10-5-9(1-2-14-10)12(17)15-3-4-18-11(7-15)8-16/h1-2,5,11,16H,3-4,6-8,13H2
InChIKeyHGHYRDBWFGFLFV-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.63
Rot. Bonds3

About [2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone

[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 113277915) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID113277915
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNCc1cc(C(=O)N2CCOC(CO)C2)ccn1
InChIInChI=1S/C12H17N3O3/c13-6-10-5-9(1-2-14-10)12(17)15-3-4-18-11(7-15)8-16/h1-2,5,11,16H,3-4,6-8,13H2
InChIKeyHGHYRDBWFGFLFV-UHFFFAOYSA-N
XLogP-0.63
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
[2-(aminomethyl)-4-pyridinyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220475
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
[4-[2-(aminomethyl)-4-pyridinyl]morpholin-2-yl]methanol
CID 81205345
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
2-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]phenoxy]acetamide
CID 81197417
[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81208376
(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 113277915) is [2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone is NCc1cc(C(=O)N2CCOC(CO)C2)ccn1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is HGHYRDBWFGFLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-6-10-5-9(1-2-14-10)12(17)15-3-4-18-11(7-15)8-16/h1-2,5,11,16H,3-4,6-8,13H2.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 251.29 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 113277915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).