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

C25H32N6O2 — CID 110263373

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

1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 110263373) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
• PubChem CID: 110263373
• Molecular Formula: C25H32N6O2
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.26
• IUPAC Name: 1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
• SMILES: Cc1nc(C2CCCN(C(=O)CN3CCCC3=O)C2)nc2c1CCCN2Cc1ccccn1
• InChI: InChI=1S/C25H32N6O2/c1-18-21-9-5-14-31(16-20-8-2-3-11-26-20)25(21)28-24(27-18)19-7-4-12-29(15-19)23(33)17-30-13-6-10-22(30)32/h2-3,8,11,19H,4-7,9-10,12-17H2,1H3
• InChIKey: KUGGJPTVCQQTJV-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 82.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 110263373) is 1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

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

The canonical SMILES for 1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is Cc1nc(C2CCCN(C(=O)CN3CCCC3=O)C2)nc2c1CCCN2Cc1ccccn1.

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

The InChIKey is KUGGJPTVCQQTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-18-21-9-5-14-31(16-20-8-2-3-11-26-20)25(21)28-24(27-18)19-7-4-12-29(15-19)23(33)17-30-13-6-10-22(30)32/h2-3,8,11,19H,4-7,9-10,12-17H2,1H3.

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

1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 448.57 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 110263373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).