2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C89H99F12N19O13 — CID 165055896

About 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 165055896) has the molecular formula C89H99F12N19O13 and a molecular weight of 1870.87 g/mol. Its IUPAC name is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• PubChem CID: 165055896
• Molecular Formula: C89H99F12N19O13
• Molecular Weight: 1870.87 g/mol
• Exact Mass: 1869.75
• IUPAC Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• SMILES: C[C@@H]1CC[C@@H](c2ccc(NCC(F)(F)F)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2ccc(NCC(F)(F)F)cc2)NC1.C[C@H]1CC[C@H](c2ccc(NCC(F)(F)F)cc2)C(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc(NCC(F)(F)F)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.NC(=O)c1cncc(NC(=O)C(=O)O)c1
• InChI: InChI=1S/C23H25F3N4O3.2C22H24F3N5O3.C14H19F3N2.C8H7N3O4/c1-13-2-7-18(14-3-5-16(6-4-14)29-12-23(24,25)26)19(8-13)20(31)22(33)30-17-9-15(21(27)32)10-28-11-17;2*1-13-2-7-18(14-3-5-16(6-4-14)28-12-22(23,24)25)30(11-13)21(33)20(32)29-17-8-15(19(26)31)9-27-10-17;1-10-2-7-13(18-8-10)11-3-5-12(6-4-11)19-9-14(15,16)17;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h3-6,9-11,13,18-19,29H,2,7-8,12H2,1H3,(H2,27,32)(H,30,33);2*3-6,8-10,13,18,28H,2,7,11-12H2,1H3,(H2,26,31)(H,29,32);3-6,10,13,18-19H,2,7-9H2,1H3;1-3H,(H2,9,12)(H,11,13)(H,14,15)/t13-,18+,19?;2*13-,18+;10-,13+;/m0101./s1
• InChIKey: QKIINIMKBSURAS-SAJYFNBBSA-N
• XLogP: 12.99
• TPSA: 495.46 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.87
LogP ≤ 5	12.99
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;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 165055896) is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C[C@@H]1CC[C@@H](c2ccc(NCC(F)(F)F)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2ccc(NCC(F)(F)F)cc2)NC1.C[C@H]1CC[C@H](c2ccc(NCC(F)(F)F)cc2)C(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc(NCC(F)(F)F)cc2)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;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The InChIKey is QKIINIMKBSURAS-SAJYFNBBSA-N. The full InChI is InChI=1S/C23H25F3N4O3.2C22H24F3N5O3.C14H19F3N2.C8H7N3O4/c1-13-2-7-18(14-3-5-16(6-4-14)29-12-23(24,25)26)19(8-13)20(31)22(33)30-17-9-15(21(27)32)10-28-11-17;2*1-13-2-7-18(14-3-5-16(6-4-14)28-12-22(23,24)25)30(11-13)21(33)20(32)29-17-8-15(19(26)31)9-27-10-17;1-10-2-7-13(18-8-10)11-3-5-12(6-4-11)19-9-14(15,16)17;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h3-6,9-11,13,18-19,29H,2,7-8,12H2,1H3,(H2,27,32)(H,30,33);2*3-6,8-10,13,18,28H,2,7,11-12H2,1H3,(H2,26,31)(H,29,32);3-6,10,13,18-19H,2,7-9H2,1H3;1-3H,(H2,9,12)(H,11,13)(H,14,15)/t13-,18+,19?;2*13-,18+;10-,13+;/m0101./s1.

What are the key properties of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 1870.87 g/mol, XLogP of 12.99, 22 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;4-[(2S,5R)-5-methylpiperidin-2-yl]-N-(2,2,2-trifluoroethyl)aniline;5-[[2-[(2S,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]cyclohexyl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[4-(2,2,2-trifluoroethylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 165055896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).