5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C25H30N6O4 — CID 164750250

About 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 164750250) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• PubChem CID: 164750250
• Molecular Formula: C25H30N6O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.23
• IUPAC Name: 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• SMILES: C[C@@H]1CC[C@H](c2ccc(N[C@@H]3CCN(C)C3=O)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1
• InChI: InChI=1S/C25H30N6O4/c1-15-3-8-21(16-4-6-18(7-5-16)28-20-9-10-30(2)24(20)34)31(14-15)25(35)23(33)29-19-11-17(22(26)32)12-27-13-19/h4-7,11-13,15,20-21,28H,3,8-10,14H2,1-2H3,(H2,26,32)(H,29,33)/t15-,20-,21-/m1/s1
• InChIKey: LYMDAHJJOKXDPH-IPHXSNPTSA-N
• XLogP: 1.76
• TPSA: 137.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The IUPAC name of 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 164750250) is 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C[C@@H]1CC[C@H](c2ccc(N[C@@H]3CCN(C)C3=O)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.

What is the InChIKey of 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The InChIKey is LYMDAHJJOKXDPH-IPHXSNPTSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-15-3-8-21(16-4-6-18(7-5-16)28-20-9-10-30(2)24(20)34)31(14-15)25(35)23(33)29-19-11-17(22(26)32)12-27-13-19/h4-7,11-13,15,20-21,28H,3,8-10,14H2,1-2H3,(H2,26,32)(H,29,33)/t15-,20-,21-/m1/s1.

What are the key properties of 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[(2R,5R)-5-methyl-2-[4-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164750250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).