N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C21H25N5O4 — CID 25495476

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 25495476) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 25495476
• Molecular Formula: C21H25N5O4
• Molecular Weight: 411.46 g/mol
• Exact Mass: 411.19
• IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cn1c(=O)c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cnc2n(C)c1=O
• InChI: InChI=1S/C21H25N5O4/c1-24-18-15(20(28)25(2)21(24)29)11-14(12-22-18)19(27)23-13-16(17-7-6-10-30-17)26-8-4-3-5-9-26/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H,23,27)/t16-/m0/s1
• InChIKey: RWDBOKUKALAEHW-INIZCTEOSA-N
• XLogP: 1.18
• TPSA: 102.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.46
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 25495476) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cnc2n(C)c1=O.

What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is RWDBOKUKALAEHW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-24-18-15(20(28)25(2)21(24)29)11-14(12-22-18)19(27)23-13-16(17-7-6-10-30-17)26-8-4-3-5-9-26/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H,23,27)/t16-/m0/s1.

What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 25495476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).