1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C22H23N5O — CID 95713430

About 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 95713430) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• PubChem CID: 95713430
• Molecular Formula: C22H23N5O
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.19
• IUPAC Name: 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• SMILES: CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@H](C)c2ccccc2)C1
• InChI: InChI=1S/C22H23N5O/c1-15(17-7-4-3-5-8-17)24-22-19-10-12-27(16(2)28)14-20(19)25-21(26-22)18-9-6-11-23-13-18/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,24,25,26)/t15-/m1/s1
• InChIKey: KDVJSDKRLAGUOF-OAHLLOKOSA-N
• XLogP: 3.62
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The IUPAC name of 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 95713430) is 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

What is the SMILES notation for 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The canonical SMILES for 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@H](C)c2ccccc2)C1.

What is the InChIKey of 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The InChIKey is KDVJSDKRLAGUOF-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15(17-7-4-3-5-8-17)24-22-19-10-12-27(16(2)28)14-20(19)25-21(26-22)18-9-6-11-23-13-18/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,24,25,26)/t15-/m1/s1.

What are the key properties of 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 95713430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).