[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone

C13H18ClN3O3 — CID 114924753

IUPAC[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCCNc1cc(C(=O)N2CCOCC2CO)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O3/c1-2-15-12-5-10(11(14)6-16-12)13(19)17-3-4-20-8-9(17)7-18/h5-6,9,18H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyASSTZQWZEDAFHW-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.00
Rot. Bonds4

About [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone

[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 114924753) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID114924753
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCCNc1cc(C(=O)N2CCOCC2CO)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O3/c1-2-15-12-5-10(11(14)6-16-12)13(19)17-3-4-20-8-9(17)7-18/h5-6,9,18H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyASSTZQWZEDAFHW-UHFFFAOYSA-N
XLogP1.00
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[5-chloro-2-(methylamino)-4-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 114922378
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 114922288
[5-chloro-2-(ethylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114921371
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 114921368
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-chloro-2-(ethylamino)-4-pyridinyl]methanone
CID 114923871
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377022
4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 114918798
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 62169252
(5-chloropyrazin-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107372202
4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 114924047

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone (CID 114924753) is [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone is CCNc1cc(C(=O)N2CCOCC2CO)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is ASSTZQWZEDAFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-2-15-12-5-10(11(14)6-16-12)13(19)17-3-4-20-8-9(17)7-18/h5-6,9,18H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 299.76 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 114924753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).