(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone

C12H16ClN3O2 — CID 114089389

IUPAC(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C12H16ClN3O2/c1-2-8-7-18-4-3-16(8)12(17)9-5-11(13)15-6-10(9)14/h5-6,8H,2-4,7,14H2,1H3
InChIKeyVYFPQCLKMMKTSR-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.57
Rot. Bonds2

About (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone

(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone (PubChem CID 114089389) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
PubChem CID114089389
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C12H16ClN3O2/c1-2-8-7-18-4-3-16(8)12(17)9-5-11(13)15-6-10(9)14/h5-6,8H,2-4,7,14H2,1H3
InChIKeyVYFPQCLKMMKTSR-UHFFFAOYSA-N
XLogP1.57
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 114922378
(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 113379780
(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613155
[5-bromo-2-(ethylamino)-3-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 62169252
4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 114918798
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 43644113
[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 62170445
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone (CID 114089389) is (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)c1cc(Cl)ncc1N.
What is the InChIKey of (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is VYFPQCLKMMKTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-2-8-7-18-4-3-16(8)12(17)9-5-11(13)15-6-10(9)14/h5-6,8H,2-4,7,14H2,1H3.
What are the key properties of (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone?
(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 269.73 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 114089389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).