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

C21H27N5O — CID 110263455

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

1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 110263455) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
• PubChem CID: 110263455
• Molecular Formula: C21H27N5O
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.22
• IUPAC Name: 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
• SMILES: Cc1nc(C2CCCN(C(=O)Cc3ccccn3)C2)nc2c1CCCN2C
• InChI: InChI=1S/C21H27N5O/c1-15-18-9-6-11-25(2)21(18)24-20(23-15)16-7-5-12-26(14-16)19(27)13-17-8-3-4-10-22-17/h3-4,8,10,16H,5-7,9,11-14H2,1-2H3
• InChIKey: XDWSNRASFGZKBW-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone (CID 110263455) is 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone.

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

The canonical SMILES for 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone is Cc1nc(C2CCCN(C(=O)Cc3ccccn3)C2)nc2c1CCCN2C.

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

The InChIKey is XDWSNRASFGZKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-18-9-6-11-25(2)21(18)24-20(23-15)16-7-5-12-26(14-16)19(27)13-17-8-3-4-10-22-17/h3-4,8,10,16H,5-7,9,11-14H2,1-2H3.

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

1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 365.48 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 110263455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).