4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one

C15H17ClN4O2 — CID 90456645

IUPAC4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one
SMILESCn1c(N2CCOCC2)cc(-c2cc(N)cnc2Cl)cc1=O
InChIInChI=1S/C15H17ClN4O2/c1-19-13(20-2-4-22-5-3-20)6-10(7-14(19)21)12-8-11(17)9-18-15(12)16/h6-9H,2-5,17H2,1H3
InChIKeyGAPKAEUWIKTZNW-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.52
Rot. Bonds2

About 4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one

4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one (PubChem CID 90456645) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one.

Molecular Properties

Compound Name4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one
PubChem CID90456645
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one
SMILESCn1c(N2CCOCC2)cc(-c2cc(N)cnc2Cl)cc1=O
InChIInChI=1S/C15H17ClN4O2/c1-19-13(20-2-4-22-5-3-20)6-10(7-14(19)21)12-8-11(17)9-18-15(12)16/h6-9H,2-5,17H2,1H3
InChIKeyGAPKAEUWIKTZNW-UHFFFAOYSA-N
XLogP1.52
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one?
The IUPAC name of 4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one (CID 90456645) is 4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one.
What is the SMILES notation for 4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one?
The canonical SMILES for 4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one is Cn1c(N2CCOCC2)cc(-c2cc(N)cnc2Cl)cc1=O.
What is the InChIKey of 4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one?
The InChIKey is GAPKAEUWIKTZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-19-13(20-2-4-22-5-3-20)6-10(7-14(19)21)12-8-11(17)9-18-15(12)16/h6-9H,2-5,17H2,1H3.
What are the key properties of 4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one?
4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one has a molecular weight of 320.78 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-chloro-3-pyridinyl)-1-methyl-6-morpholin-4-ylpyridin-2-one is sourced from PubChem (CID 90456645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).