3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C15H19N5O2 — CID 71991007

IUPAC3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCOc1ccc(NC2CCCN(c3cnn(C)c3)C2=O)cn1
InChIInChI=1S/C15H19N5O2/c1-19-10-12(9-17-19)20-7-3-4-13(15(20)21)18-11-5-6-14(22-2)16-8-11/h5-6,8-10,13,18H,3-4,7H2,1-2H3
InChIKeyQOUOEUSTWZFRCM-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.43
Rot. Bonds4

About 3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 71991007) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID71991007
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCOc1ccc(NC2CCCN(c3cnn(C)c3)C2=O)cn1
InChIInChI=1S/C15H19N5O2/c1-19-10-12(9-17-19)20-7-3-4-13(15(20)21)18-11-5-6-14(22-2)16-8-11/h5-6,8-10,13,18H,3-4,7H2,1-2H3
InChIKeyQOUOEUSTWZFRCM-UHFFFAOYSA-N
XLogP1.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 71991007) is 3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one is COc1ccc(NC2CCCN(c3cnn(C)c3)C2=O)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is QOUOEUSTWZFRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-19-10-12(9-17-19)20-7-3-4-13(15(20)21)18-11-5-6-14(22-2)16-8-11/h5-6,8-10,13,18H,3-4,7H2,1-2H3.
What are the key properties of 3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 301.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 71991007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).