1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone

C21H26N6O2 — CID 110265726

About 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone

1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110265726) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110265726
• Molecular Formula: C21H26N6O2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.21
• IUPAC Name: 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: CNc1nc(C2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1ccccn1)C2
• InChI: InChI=1S/C21H26N6O2/c1-14(28)26-10-5-6-15(12-26)19-24-18-13-27(11-8-16(18)20(22-2)25-19)21(29)17-7-3-4-9-23-17/h3-4,7,9,15H,5-6,8,10-13H2,1-2H3,(H,22,24,25)
• InChIKey: SDPQKKSAECSFGX-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 91.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 110265726) is 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is CNc1nc(C2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1ccccn1)C2.

What is the InChIKey of 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?

The InChIKey is SDPQKKSAECSFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14(28)26-10-5-6-15(12-26)19-24-18-13-27(11-8-16(18)20(22-2)25-19)21(29)17-7-3-4-9-23-17/h3-4,7,9,15H,5-6,8,10-13H2,1-2H3,(H,22,24,25).

What are the key properties of 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?

1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 394.48 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110265726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).