1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one

C15H18N4O2 — CID 68767381

IUPAC1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one
SMILESCn1cccc(Nc2ccc(N3CCOCC3)cn2)c1=O
InChIInChI=1S/C15H18N4O2/c1-18-6-2-3-13(15(18)20)17-14-5-4-12(11-16-14)19-7-9-21-10-8-19/h2-6,11H,7-10H2,1H3,(H,16,17)
InChIKeyKGACVBVWNGGADQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.36
Rot. Bonds3

About 1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one

1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one (PubChem CID 68767381) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one
PubChem CID68767381
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one
SMILESCn1cccc(Nc2ccc(N3CCOCC3)cn2)c1=O
InChIInChI=1S/C15H18N4O2/c1-18-6-2-3-13(15(18)20)17-14-5-4-12(11-16-14)19-7-9-21-10-8-19/h2-6,11H,7-10H2,1H3,(H,16,17)
InChIKeyKGACVBVWNGGADQ-UHFFFAOYSA-N
XLogP1.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one?
The IUPAC name of 1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one (CID 68767381) is 1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one is Cn1cccc(Nc2ccc(N3CCOCC3)cn2)c1=O.
What is the InChIKey of 1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one?
The InChIKey is KGACVBVWNGGADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-6-2-3-13(15(18)20)17-14-5-4-12(11-16-14)19-7-9-21-10-8-19/h2-6,11H,7-10H2,1H3,(H,16,17).
What are the key properties of 1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one?
1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one has a molecular weight of 286.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one is sourced from PubChem (CID 68767381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).