N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide

C21H25N5O3 — CID 92869716

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide (PubChem CID 92869716) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
• PubChem CID: 92869716
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
• SMILES: C[C@@H](Cc1ccco1)NC(=O)C1CCN(c2nc3cccnc3n(C)c2=O)CC1
• InChI: InChI=1S/C21H25N5O3/c1-14(13-16-5-4-12-29-16)23-20(27)15-7-10-26(11-8-15)19-21(28)25(2)18-17(24-19)6-3-9-22-18/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3,(H,23,27)/t14-/m0/s1
• InChIKey: PCYUEHHOYMABOP-AWEZNQCLSA-N
• XLogP: 1.89
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?

The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide (CID 92869716) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?

The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide is C[C@@H](Cc1ccco1)NC(=O)C1CCN(c2nc3cccnc3n(C)c2=O)CC1.

What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?

The InChIKey is PCYUEHHOYMABOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14(13-16-5-4-12-29-16)23-20(27)15-7-10-26(11-8-15)19-21(28)25(2)18-17(24-19)6-3-9-22-18/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3,(H,23,27)/t14-/m0/s1.

What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide?

N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 92869716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).