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

C27H31N5O — CID 110268592

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

[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110268592) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

• Compound Name: [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
• PubChem CID: 110268592
• Molecular Formula: C27H31N5O
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.25
• IUPAC Name: [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
• SMILES: Cc1nc(C2CCCN(C(=O)c3ccncc3)C2)nc2c1CCCN2CCc1ccccc1
• InChI: InChI=1S/C27H31N5O/c1-20-24-10-6-16-31(18-13-21-7-3-2-4-8-21)26(24)30-25(29-20)23-9-5-17-32(19-23)27(33)22-11-14-28-15-12-22/h2-4,7-8,11-12,14-15,23H,5-6,9-10,13,16-19H2,1H3
• InChIKey: SYVBDNTXYOLIJD-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 110268592) is [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

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

The canonical SMILES for [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1nc(C2CCCN(C(=O)c3ccncc3)C2)nc2c1CCCN2CCc1ccccc1.

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

The InChIKey is SYVBDNTXYOLIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-20-24-10-6-16-31(18-13-21-7-3-2-4-8-21)26(24)30-25(29-20)23-9-5-17-32(19-23)27(33)22-11-14-28-15-12-22/h2-4,7-8,11-12,14-15,23H,5-6,9-10,13,16-19H2,1H3.

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

[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 441.58 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110268592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).