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

C22H29N5O2 — CID 110263207

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

2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110263207) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110263207
• Molecular Formula: C22H29N5O2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.23
• IUPAC Name: 2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: COCC(=O)N1CCCCC1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2
• InChI: InChI=1S/C22H29N5O2/c1-16-18-9-7-12-26(14-17-8-3-5-11-23-17)22(18)25-21(24-16)19-10-4-6-13-27(19)20(28)15-29-2/h3,5,8,11,19H,4,6-7,9-10,12-15H2,1-2H3
• InChIKey: CUHDGRCHYYWKHD-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 71.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 110263207) is 2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCCCC1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2.

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

The InChIKey is CUHDGRCHYYWKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-18-9-7-12-26(14-17-8-3-5-11-23-17)22(18)25-21(24-16)19-10-4-6-13-27(19)20(28)15-29-2/h3,5,8,11,19H,4,6-7,9-10,12-15H2,1-2H3.

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

2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 395.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110263207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).