[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone

C12H17N3O2 — CID 115270933

IUPAC[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
SMILESCNCC1COCCN1C(=O)c1ccncc1
InChIInChI=1S/C12H17N3O2/c1-13-8-11-9-17-7-6-15(11)12(16)10-2-4-14-5-3-10/h2-5,11,13H,6-9H2,1H3
InChIKeyWHZZYMVCNGWHBM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.14
Rot. Bonds3

About [3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone

[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone (PubChem CID 115270933) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
PubChem CID115270933
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
SMILESCNCC1COCCN1C(=O)c1ccncc1
InChIInChI=1S/C12H17N3O2/c1-13-8-11-9-17-7-6-15(11)12(16)10-2-4-14-5-3-10/h2-5,11,13H,6-9H2,1H3
InChIKeyWHZZYMVCNGWHBM-UHFFFAOYSA-N
XLogP0.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 115270965
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid
CID 95728578
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
N-[[4-(4-chlorobenzoyl)morpholin-3-yl]methyl]-4-(N'-methylcarbamimidoyl)benzamide
CID 130179943

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone (CID 115270933) is [3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone is CNCC1COCCN1C(=O)c1ccncc1.
What is the InChIKey of [3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone?
The InChIKey is WHZZYMVCNGWHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-8-11-9-17-7-6-15(11)12(16)10-2-4-14-5-3-10/h2-5,11,13H,6-9H2,1H3.
What are the key properties of [3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone?
[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone has a molecular weight of 235.29 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 115270933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).