2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid

C98H100N12O9 — CID 159812917

About 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid

2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid (PubChem CID 159812917) has the molecular formula C98H100N12O9 and a molecular weight of 1589.95 g/mol. Its IUPAC name is 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

• Compound Name: 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
• PubChem CID: 159812917
• Molecular Formula: C98H100N12O9
• Molecular Weight: 1589.95 g/mol
• Exact Mass: 1588.77
• IUPAC Name: 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
• SMILES: COC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1.Nc1ccc(N2CCCCC2)cc1-c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccn1.O=C(O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1
• InChI: InChI=1S/C36H36N4O4.C35H34N4O4.C27H30N4O/c1-44-36(43)27-12-7-11-25(21-27)34(41)39-32-16-15-28(40-19-5-2-6-20-40)23-30(32)33-22-26(17-18-37-33)35(42)38-31-14-8-10-24-9-3-4-13-29(24)31;40-33(24-10-6-11-26(20-24)35(42)43)38-31-15-14-27(39-18-4-1-5-19-39)22-29(31)32-21-25(16-17-36-32)34(41)37-30-13-7-9-23-8-2-3-12-28(23)30;28-24-12-11-21(31-15-4-1-5-16-31)18-23(24)26-17-20(13-14-29-26)27(32)30-25-10-6-8-19-7-2-3-9-22(19)25/h3-4,7,9,11-13,15-18,21-23,31H,2,5-6,8,10,14,19-20H2,1H3,(H,38,42)(H,39,41);2-3,6,8,10-12,14-17,20-22,30H,1,4-5,7,9,13,18-19H2,(H,37,41)(H,38,40)(H,42,43);2-3,7,9,11-14,17-18,25H,1,4-6,8,10,15-16,28H2,(H,30,32)/t31-;30-;25-/m000/s1
• InChIKey: NLGKNXOCXAFDRB-GXGHNAESSA-N
• XLogP: 18.21
• TPSA: 283.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1589.95
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?

The IUPAC name of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid (CID 159812917) is 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid.

What is the SMILES notation for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?

The canonical SMILES for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid is COC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1.Nc1ccc(N2CCCCC2)cc1-c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccn1.O=C(O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1.

What is the InChIKey of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?

The InChIKey is NLGKNXOCXAFDRB-GXGHNAESSA-N. The full InChI is InChI=1S/C36H36N4O4.C35H34N4O4.C27H30N4O/c1-44-36(43)27-12-7-11-25(21-27)34(41)39-32-16-15-28(40-19-5-2-6-20-40)23-30(32)33-22-26(17-18-37-33)35(42)38-31-14-8-10-24-9-3-4-13-29(24)31;40-33(24-10-6-11-26(20-24)35(42)43)38-31-15-14-27(39-18-4-1-5-19-39)22-29(31)32-21-25(16-17-36-32)34(41)37-30-13-7-9-23-8-2-3-12-28(23)30;28-24-12-11-21(31-15-4-1-5-16-31)18-23(24)26-17-20(13-14-29-26)27(32)30-25-10-6-8-19-7-2-3-9-22(19)25/h3-4,7,9,11-13,15-18,21-23,31H,2,5-6,8,10,14,19-20H2,1H3,(H,38,42)(H,39,41);2-3,6,8,10-12,14-17,20-22,30H,1,4-5,7,9,13,18-19H2,(H,37,41)(H,38,40)(H,42,43);2-3,7,9,11-14,17-18,25H,1,4-6,8,10,15-16,28H2,(H,30,32)/t31-;30-;25-/m000/s1.

What are the key properties of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?

2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 1589.95 g/mol, XLogP of 18.21, 18 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;methyl 3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-piperidin-1-yl-2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 159812917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).