1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one

C21H30N6O2 — CID 176991378

IUPAC1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one
SMILESCC(CNCC1CNc2cc(-c3cnn(C)c3)cnc2O1)C1CCN(C)C(=O)C1
InChIInChI=1S/C21H30N6O2/c1-14(15-4-5-26(2)20(28)7-15)8-22-11-18-12-23-19-6-16(9-24-21(19)29-18)17-10-25-27(3)13-17/h6,9-10,13-15,18,22-23H,4-5,7-8,11-12H2,1-3H3
InChIKeyJEKSJMWRAHKMJD-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.75
Rot. Bonds6

About 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one

1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one (PubChem CID 176991378) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one
PubChem CID176991378
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one
SMILESCC(CNCC1CNc2cc(-c3cnn(C)c3)cnc2O1)C1CCN(C)C(=O)C1
InChIInChI=1S/C21H30N6O2/c1-14(15-4-5-26(2)20(28)7-15)8-22-11-18-12-23-19-6-16(9-24-21(19)29-18)17-10-25-27(3)13-17/h6,9-10,13-15,18,22-23H,4-5,7-8,11-12H2,1-3H3
InChIKeyJEKSJMWRAHKMJD-UHFFFAOYSA-N
XLogP1.75
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one?
The IUPAC name of 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one (CID 176991378) is 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one.
What is the SMILES notation for 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one?
The canonical SMILES for 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one is CC(CNCC1CNc2cc(-c3cnn(C)c3)cnc2O1)C1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one?
The InChIKey is JEKSJMWRAHKMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-14(15-4-5-26(2)20(28)7-15)8-22-11-18-12-23-19-6-16(9-24-21(19)29-18)17-10-25-27(3)13-17/h6,9-10,13-15,18,22-23H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one?
1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one has a molecular weight of 398.51 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one is sourced from PubChem (CID 176991378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).