2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H31N5O3 — CID 125001382

About 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 125001382) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 125001382
• Molecular Formula: C24H31N5O3
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.24
• IUPAC Name: 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
• SMILES: COc1ccc(N(C)CCC(=O)N2CC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1
• InChI: InChI=1S/C24H31N5O3/c1-16-20-9-10-21(30)28(3)24(20)26-23(25-16)17-11-14-29(15-17)22(31)12-13-27(2)18-5-7-19(32-4)8-6-18/h5-8,17H,9-15H2,1-4H3/t17-/m0/s1
• InChIKey: SCXGPCMFFLZKGQ-KRWDZBQOSA-N
• XLogP: 2.55
• TPSA: 78.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 125001382) is 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1ccc(N(C)CCC(=O)N2CC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1.

What is the InChIKey of 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SCXGPCMFFLZKGQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16-20-9-10-21(30)28(3)24(20)26-23(25-16)17-11-14-29(15-17)22(31)12-13-27(2)18-5-7-19(32-4)8-6-18/h5-8,17H,9-15H2,1-4H3/t17-/m0/s1.

What are the key properties of 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 437.54 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 125001382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).