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

C22H25N5O3 — CID 50781083

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

N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide (PubChem CID 50781083) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
• PubChem CID: 50781083
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
• SMILES: COc1cccc(CNC(=O)C2CCN(c3nc4cccnc4n(C)c3=O)CC2)c1
• InChI: InChI=1S/C22H25N5O3/c1-26-19-18(7-4-10-23-19)25-20(22(26)29)27-11-8-16(9-12-27)21(28)24-14-15-5-3-6-17(13-15)30-2/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,24,28)
• InChIKey: LPTAFMMBECPKQV-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide (CID 50781083) is N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide.

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

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(c3nc4cccnc4n(C)c3=O)CC2)c1.

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

The InChIKey is LPTAFMMBECPKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-26-19-18(7-4-10-23-19)25-20(22(26)29)27-11-8-16(9-12-27)21(28)24-14-15-5-3-6-17(13-15)30-2/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,24,28).

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

N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50781083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).