4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile

About 4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile

4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile (PubChem CID 67098847) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name	4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
PubChem CID	67098847
Molecular Formula	C25H30N8O2
Molecular Weight	474.57 g/mol
Exact Mass	474.25
IUPAC Name	4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
SMILES	CC(=O)N1CCC(c2cc(Nc3cc(C)[nH]n3)nc(NCCOc3ccc(C)nc3)c2C#N)CC1
InChI	InChI=1S/C25H30N8O2/c1-16-4-5-20(15-28-16)35-11-8-27-25-22(14-26)21(19-6-9-33(10-7-19)18(3)34)13-23(30-25)29-24-12-17(2)31-32-24/h4-5,12-13,15,19H,6-11H2,1-3H3,(H3,27,29,30,31,32)
InChIKey	XRALTERSJQSMCY-UHFFFAOYSA-N
XLogP	3.65
TPSA	131.85 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?

The IUPAC name of 4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile (CID 67098847) is 4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile.

What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?

The canonical SMILES for 4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile is CC(=O)N1CCC(c2cc(Nc3cc(C)[nH]n3)nc(NCCOc3ccc(C)nc3)c2C#N)CC1.

What is the InChIKey of 4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?

The InChIKey is XRALTERSJQSMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-16-4-5-20(15-28-16)35-11-8-27-25-22(14-26)21(19-6-9-33(10-7-19)18(3)34)13-23(30-25)29-24-12-17(2)31-32-24/h4-5,12-13,15,19H,6-11H2,1-3H3,(H3,27,29,30,31,32).

What are the key properties of 4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?

4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile has a molecular weight of 474.57 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-acetylpiperidin-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 67098847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).