2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C68H82N24O13 — CID 165073091

About 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 165073091) has the molecular formula C68H82N24O13 and a molecular weight of 1443.56 g/mol. Its IUPAC name is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• PubChem CID: 165073091
• Molecular Formula: C68H82N24O13
• Molecular Weight: 1443.56 g/mol
• Exact Mass: 1442.65
• IUPAC Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• SMILES: C[C@@H]1CC[C@@H](c2cn[nH]c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2cn[nH]c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2cn[nH]c2)NC1.C[C@H]1CC[C@H](c2cn[nH]c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.NC(=O)c1cncc(NC(=O)C(=O)O)c1
• InChI: InChI=1S/3C17H20N6O3.C9H15N3.C8H7N3O4/c3*1-10-2-3-14(12-6-20-21-7-12)23(9-10)17(26)16(25)22-13-4-11(15(18)24)5-19-8-13;1-7-2-3-9(10-4-7)8-5-11-12-6-8;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h3*4-8,10,14H,2-3,9H2,1H3,(H2,18,24)(H,20,21)(H,22,25);5-7,9-10H,2-4H2,1H3,(H,11,12);1-3H,(H2,9,12)(H,11,13)(H,14,15)/t3*10-,14+;7-,9+;/m1101./s1
• InChIKey: TVXZBFPNTKSKRU-MBLPDYKUSA-N
• XLogP: 3.20
• TPSA: 565.30 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.56
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 165073091) is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C[C@@H]1CC[C@@H](c2cn[nH]c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2cn[nH]c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2cn[nH]c2)NC1.C[C@H]1CC[C@H](c2cn[nH]c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.NC(=O)c1cncc(NC(=O)C(=O)O)c1.

What is the InChIKey of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The InChIKey is TVXZBFPNTKSKRU-MBLPDYKUSA-N. The full InChI is InChI=1S/3C17H20N6O3.C9H15N3.C8H7N3O4/c3*1-10-2-3-14(12-6-20-21-7-12)23(9-10)17(26)16(25)22-13-4-11(15(18)24)5-19-8-13;1-7-2-3-9(10-4-7)8-5-11-12-6-8;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h3*4-8,10,14H,2-3,9H2,1H3,(H2,18,24)(H,20,21)(H,22,25);5-7,9-10H,2-4H2,1H3,(H,11,12);1-3H,(H2,9,12)(H,11,13)(H,14,15)/t3*10-,14+;7-,9+;/m1101./s1.

What are the key properties of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 1443.56 g/mol, XLogP of 3.20, 12 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidine;bis(5-[[2-[(2S,5R)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 165073091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).