2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C28H32N6O3 — CID 155458959

About 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458959) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
• PubChem CID: 155458959
• Molecular Formula: C28H32N6O3
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.25
• IUPAC Name: 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
• SMILES: CN(C)CC(=O)C1CCc2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5(C)O)c4n3)cc2C1
• InChI: InChI=1S/C28H32N6O3/c1-28(37)10-4-5-24(28)34-25-21(12-20(14-29)26(34)36)15-30-27(32-25)31-22-9-8-17-6-7-18(11-19(17)13-22)23(35)16-33(2)3/h8-9,12-13,15,18,24,37H,4-7,10-11,16H2,1-3H3,(H,30,31,32)
• InChIKey: LTJSWLUYDUBICU-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 124.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The IUPAC name of 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458959) is 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

What is the SMILES notation for 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The canonical SMILES for 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is CN(C)CC(=O)C1CCc2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5(C)O)c4n3)cc2C1.

What is the InChIKey of 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

The InChIKey is LTJSWLUYDUBICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c1-28(37)10-4-5-24(28)34-25-21(12-20(14-29)26(34)36)15-30-27(32-25)31-22-9-8-17-6-7-18(11-19(17)13-22)23(35)16-33(2)3/h8-9,12-13,15,18,24,37H,4-7,10-11,16H2,1-3H3,(H,30,31,32).

What are the key properties of 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?

2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 500.60 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-[2-(dimethylamino)acetyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-8-(2-hydroxy-2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).