N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide

C25H37N5O6 — CID 150147034

About N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide

N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide (PubChem CID 150147034) has the molecular formula C25H37N5O6 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide
• PubChem CID: 150147034
• Molecular Formula: C25H37N5O6
• Molecular Weight: 503.60 g/mol
• Exact Mass: 503.27
• IUPAC Name: N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide
• SMILES: COCCCn1cc(Cn2ccc(NC(=O)C3CCCN(C)C3)cc2=O)c(=O)n(CCCOC)c1=O
• InChI: InChI=1S/C25H37N5O6/c1-27-9-4-7-19(16-27)23(32)26-21-8-12-28(22(31)15-21)17-20-18-29(10-5-13-35-2)25(34)30(24(20)33)11-6-14-36-3/h8,12,15,18-19H,4-7,9-11,13-14,16-17H2,1-3H3,(H,26,32)
• InChIKey: FELVGWRYMNBDNS-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 116.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.60
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide?

The IUPAC name of N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide (CID 150147034) is N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide.

What is the SMILES notation for N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide?

The canonical SMILES for N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide is COCCCn1cc(Cn2ccc(NC(=O)C3CCCN(C)C3)cc2=O)c(=O)n(CCCOC)c1=O.

What is the InChIKey of N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide?

The InChIKey is FELVGWRYMNBDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O6/c1-27-9-4-7-19(16-27)23(32)26-21-8-12-28(22(31)15-21)17-20-18-29(10-5-13-35-2)25(34)30(24(20)33)11-6-14-36-3/h8,12,15,18-19H,4-7,9-11,13-14,16-17H2,1-3H3,(H,26,32).

What are the key properties of N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide?

N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 503.60 g/mol, XLogP of 0.57, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1,3-bis(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methyl]-2-oxo-4-pyridinyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 150147034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).