(2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone

C12H16ClN3O2 — CID 55041455

IUPAC(2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(N)nc(Cl)c2)CCO1
InChIInChI=1S/C12H16ClN3O2/c1-2-9-7-16(3-4-18-9)12(17)8-5-10(13)15-11(14)6-8/h5-6,9H,2-4,7H2,1H3,(H2,14,15)
InChIKeyWJQKANYVMDXKLV-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.57
Rot. Bonds2

About (2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone

(2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone (PubChem CID 55041455) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
PubChem CID55041455
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(N)nc(Cl)c2)CCO1
InChIInChI=1S/C12H16ClN3O2/c1-2-9-7-16(3-4-18-9)12(17)8-5-10(13)15-11(14)6-8/h5-6,9H,2-4,7H2,1H3,(H2,14,15)
InChIKeyWJQKANYVMDXKLV-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'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone (CID 55041455) is (2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2cc(N)nc(Cl)c2)CCO1.
What is the InChIKey of (2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is WJQKANYVMDXKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-2-9-7-16(3-4-18-9)12(17)8-5-10(13)15-11(14)6-8/h5-6,9H,2-4,7H2,1H3,(H2,14,15).
What are the key properties of (2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone?
(2-amino-6-chloro-4-pyridinyl)-(2-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 (2-amino-6-chloro-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 55041455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).