6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one

C21H22N6O — CID 163200989

IUPAC6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one
SMILESCc1nccc(Nc2cc(C3CC(=O)NC(c4cnccc4C)C3)ccn2)n1
InChIInChI=1S/C21H22N6O/c1-13-3-6-22-12-17(13)18-9-16(11-21(28)26-18)15-4-7-24-20(10-15)27-19-5-8-23-14(2)25-19/h3-8,10,12,16,18H,9,11H2,1-2H3,(H,26,28)(H,23,24,25,27)
InChIKeyCFOBYJRYDOPYHJ-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.36
Rot. Bonds4

About 6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one

6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one (PubChem CID 163200989) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one
PubChem CID163200989
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one
SMILESCc1nccc(Nc2cc(C3CC(=O)NC(c4cnccc4C)C3)ccn2)n1
InChIInChI=1S/C21H22N6O/c1-13-3-6-22-12-17(13)18-9-16(11-21(28)26-18)15-4-7-24-20(10-15)27-19-5-8-23-14(2)25-19/h3-8,10,12,16,18H,9,11H2,1-2H3,(H,26,28)(H,23,24,25,27)
InChIKeyCFOBYJRYDOPYHJ-UHFFFAOYSA-N
XLogP3.36
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one?
The IUPAC name of 6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one (CID 163200989) is 6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one.
What is the SMILES notation for 6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one?
The canonical SMILES for 6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one is Cc1nccc(Nc2cc(C3CC(=O)NC(c4cnccc4C)C3)ccn2)n1.
What is the InChIKey of 6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one?
The InChIKey is CFOBYJRYDOPYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13-3-6-22-12-17(13)18-9-16(11-21(28)26-18)15-4-7-24-20(10-15)27-19-5-8-23-14(2)25-19/h3-8,10,12,16,18H,9,11H2,1-2H3,(H,26,28)(H,23,24,25,27).
What are the key properties of 6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one?
6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one has a molecular weight of 374.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-3-pyridinyl)-4-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]piperidin-2-one is sourced from PubChem (CID 163200989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).