(2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C14H20ClN3O2 — CID 102737678

IUPAC(2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(N)nc(Cl)c2)CC(C)(C)O1
InChIInChI=1S/C14H20ClN3O2/c1-13(2)7-18(8-14(3,4)20-13)12(19)9-5-10(15)17-11(16)6-9/h5-6H,7-8H2,1-4H3,(H2,16,17)
InChIKeyBRIFHUGKEASYSQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.35
Rot. Bonds1

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

(2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102737678) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102737678
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(N)nc(Cl)c2)CC(C)(C)O1
InChIInChI=1S/C14H20ClN3O2/c1-13(2)7-18(8-14(3,4)20-13)12(19)9-5-10(15)17-11(16)6-9/h5-6H,7-8H2,1-4H3,(H2,16,17)
InChIKeyBRIFHUGKEASYSQ-UHFFFAOYSA-N
XLogP2.35
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.35
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)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102737678) is (2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(N)nc(Cl)c2)CC(C)(C)O1.
What is the InChIKey of (2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is BRIFHUGKEASYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-13(2)7-18(8-14(3,4)20-13)12(19)9-5-10(15)17-11(16)6-9/h5-6H,7-8H2,1-4H3,(H2,16,17).
What are the key properties of (2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 297.79 g/mol, XLogP of 2.35, 1 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)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102737678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).