3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide

C25H33N5O2 — CID 92630139

About 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide

3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide (PubChem CID 92630139) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide
• PubChem CID: 92630139
• Molecular Formula: C25H33N5O2
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.26
• IUPAC Name: 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide
• SMILES: Cc1nc([C@@H]2CCCN(CCC(N)=O)C2)nc2c1CCC(=O)N2CCCc1ccccc1
• InChI: InChI=1S/C25H33N5O2/c1-18-21-11-12-23(32)30(15-5-9-19-7-3-2-4-8-19)25(21)28-24(27-18)20-10-6-14-29(17-20)16-13-22(26)31/h2-4,7-8,20H,5-6,9-17H2,1H3,(H2,26,31)/t20-/m1/s1
• InChIKey: SBGXXSGPXRGZCG-HXUWFJFHSA-N
• XLogP: 2.75
• TPSA: 92.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide?

The IUPAC name of 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide (CID 92630139) is 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide.

What is the SMILES notation for 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide?

The canonical SMILES for 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide is Cc1nc([C@@H]2CCCN(CCC(N)=O)C2)nc2c1CCC(=O)N2CCCc1ccccc1.

What is the InChIKey of 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide?

The InChIKey is SBGXXSGPXRGZCG-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-18-21-11-12-23(32)30(15-5-9-19-7-3-2-4-8-19)25(21)28-24(27-18)20-10-6-14-29(17-20)16-13-22(26)31/h2-4,7-8,20H,5-6,9-17H2,1H3,(H2,26,31)/t20-/m1/s1.

What are the key properties of 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide?

3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide has a molecular weight of 435.57 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 92630139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).