2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C80H82F8N16O13 — CID 165028784

About 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 165028784) has the molecular formula C80H82F8N16O13 and a molecular weight of 1627.62 g/mol. Its IUPAC name is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• PubChem CID: 165028784
• Molecular Formula: C80H82F8N16O13
• Molecular Weight: 1627.62 g/mol
• Exact Mass: 1626.61
• IUPAC Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(C(=O)C(=O)Nc2cncc(C(N)=O)c2)[C@@H](c2ccccc2)CC1(F)F.C[C@H]1CN(C(=O)C(=O)Nc2cncc(C(N)=O)c2)[C@H](c2ccccc2)CC1(F)F.C[C@H]1CN(C(=O)C(=O)Nc2cncc(C(N)=O)c2)[C@H](c2ccccc2)CC1(F)F.C[C@H]1CN[C@H](c2ccccc2)CC1(F)F.NC(=O)c1cncc(NC(=O)C(=O)O)c1
• InChI: InChI=1S/3C20H20F2N4O3.C12H15F2N.C8H7N3O4/c3*1-12-11-26(16(8-20(12,21)22)13-5-3-2-4-6-13)19(29)18(28)25-15-7-14(17(23)27)9-24-10-15;1-9-8-15-11(7-12(9,13)14)10-5-3-2-4-6-10;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h3*2-7,9-10,12,16H,8,11H2,1H3,(H2,23,27)(H,25,28);2-6,9,11,15H,7-8H2,1H3;1-3H,(H2,9,12)(H,11,13)(H,14,15)/t3*12-,16-;9-,11-;/m1000./s1
• InChIKey: MHSBPEVRWLRRBA-GYZCENOLSA-N
• XLogP: 9.29
• TPSA: 450.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1627.62
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

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,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 165028784) is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

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

The canonical SMILES for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C[C@@H]1CN(C(=O)C(=O)Nc2cncc(C(N)=O)c2)[C@@H](c2ccccc2)CC1(F)F.C[C@H]1CN(C(=O)C(=O)Nc2cncc(C(N)=O)c2)[C@H](c2ccccc2)CC1(F)F.C[C@H]1CN(C(=O)C(=O)Nc2cncc(C(N)=O)c2)[C@H](c2ccccc2)CC1(F)F.C[C@H]1CN[C@H](c2ccccc2)CC1(F)F.NC(=O)c1cncc(NC(=O)C(=O)O)c1.

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

The InChIKey is MHSBPEVRWLRRBA-GYZCENOLSA-N. The full InChI is InChI=1S/3C20H20F2N4O3.C12H15F2N.C8H7N3O4/c3*1-12-11-26(16(8-20(12,21)22)13-5-3-2-4-6-13)19(29)18(28)25-15-7-14(17(23)27)9-24-10-15;1-9-8-15-11(7-12(9,13)14)10-5-3-2-4-6-10;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h3*2-7,9-10,12,16H,8,11H2,1H3,(H2,23,27)(H,25,28);2-6,9,11,15H,7-8H2,1H3;1-3H,(H2,9,12)(H,11,13)(H,14,15)/t3*12-,16-;9-,11-;/m1000./s1.

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

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 1627.62 g/mol, XLogP of 9.29, 12 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidine;bis(5-[[2-[(2S,5S)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5R)-4,4-difluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 165028784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).