[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C19H23N5O — CID 92608949

About [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 92608949) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

• Compound Name: [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
• PubChem CID: 92608949
• Molecular Formula: C19H23N5O
• Molecular Weight: 337.43 g/mol
• Exact Mass: 337.19
• IUPAC Name: [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
• SMILES: CN1CCc2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)ncc2C1
• InChI: InChI=1S/C19H23N5O/c1-23-10-7-16-15(12-23)11-21-18(22-16)14-5-4-9-24(13-14)19(25)17-6-2-3-8-20-17/h2-3,6,8,11,14H,4-5,7,9-10,12-13H2,1H3/t14-/m0/s1
• InChIKey: UFMLVQPODXAZTN-AWEZNQCLSA-N
• XLogP: 1.88
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.43
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?

The IUPAC name of [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 92608949) is [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

What is the SMILES notation for [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?

The canonical SMILES for [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone is CN1CCc2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)ncc2C1.

What is the InChIKey of [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?

The InChIKey is UFMLVQPODXAZTN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O/c1-23-10-7-16-15(12-23)11-21-18(22-16)14-5-4-9-24(13-14)19(25)17-6-2-3-8-20-17/h2-3,6,8,11,14H,4-5,7,9-10,12-13H2,1H3/t14-/m0/s1.

What are the key properties of [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?

[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 337.43 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 92608949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).