N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide

C25H29N5O3 — CID 92635435

About N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide

N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide (PubChem CID 92635435) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 92635435
• Molecular Formula: C25H29N5O3
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.23
• IUPAC Name: N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
• SMILES: Cc1nccn1C[C@H]1CCCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)C1
• InChI: InChI=1S/C25H29N5O3/c1-19-26-11-14-28(19)16-21-9-5-12-29(17-21)23(31)18-30-13-6-10-22(25(30)33)24(32)27-15-20-7-3-2-4-8-20/h2-4,6-8,10-11,13-14,21H,5,9,12,15-18H2,1H3,(H,27,32)/t21-/m1/s1
• InChIKey: HPZGTKLWFWXEOZ-OAQYLSRUSA-N
• XLogP: 2.22
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide (CID 92635435) is N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide is Cc1nccn1C[C@H]1CCCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)C1.

What is the InChIKey of N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide?

The InChIKey is HPZGTKLWFWXEOZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-19-26-11-14-28(19)16-21-9-5-12-29(17-21)23(31)18-30-13-6-10-22(25(30)33)24(32)27-15-20-7-3-2-4-8-20/h2-4,6-8,10-11,13-14,21H,5,9,12,15-18H2,1H3,(H,27,32)/t21-/m1/s1.

What are the key properties of N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide?

N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-[2-[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).