N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide

C94H108ClN9O9 — CID 167670703

About N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide

N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide (PubChem CID 167670703) has the molecular formula C94H108ClN9O9 and a molecular weight of 1543.40 g/mol. Its IUPAC name is N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide.

Molecular Properties

• Compound Name: N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide
• PubChem CID: 167670703
• Molecular Formula: C94H108ClN9O9
• Molecular Weight: 1543.40 g/mol
• Exact Mass: 1541.80
• IUPAC Name: N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide
• SMILES: CCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(C)nc4)(C2)C3)cc1.CCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(Cl)nc4)(C2)C3)cc1.CCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(N)nc4)(C2)C3)cc1.CCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(OC)nc4)(C2)C3)cc1
• InChI: InChI=1S/C24H28N2O3.C24H28N2O2.C23H25ClN2O2.C23H27N3O2/c1-4-22(28)26(2)19-9-7-18(8-10-19)23-14-24(15-23,16-23)20(27)11-5-17-6-12-21(29-3)25-13-17;1-4-22(28)26(3)20-10-8-19(9-11-20)23-14-24(15-23,16-23)21(27)12-7-18-6-5-17(2)25-13-18;2*1-3-21(28)26(2)18-8-6-17(7-9-18)22-13-23(14-22,15-22)19(27)10-4-16-5-11-20(24)25-12-16/h6-10,12-13H,4-5,11,14-16H2,1-3H3;5-6,8-11,13H,4,7,12,14-16H2,1-3H3;5-9,11-12H,3-4,10,13-15H2,1-2H3;5-9,11-12H,3-4,10,13-15H2,1-2H3,(H2,24,25)
• InChIKey: UBJHLHMRBAISDV-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 236.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 29
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.40
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide?

The IUPAC name of N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide (CID 167670703) is N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide.

What is the SMILES notation for N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide?

The canonical SMILES for N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide is CCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(C)nc4)(C2)C3)cc1.CCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(Cl)nc4)(C2)C3)cc1.CCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(N)nc4)(C2)C3)cc1.CCC(=O)N(C)c1ccc(C23CC(C(=O)CCc4ccc(OC)nc4)(C2)C3)cc1.

What is the InChIKey of N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide?

The InChIKey is UBJHLHMRBAISDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3.C24H28N2O2.C23H25ClN2O2.C23H27N3O2/c1-4-22(28)26(2)19-9-7-18(8-10-19)23-14-24(15-23,16-23)20(27)11-5-17-6-12-21(29-3)25-13-17;1-4-22(28)26(3)20-10-8-19(9-11-20)23-14-24(15-23,16-23)21(27)12-7-18-6-5-17(2)25-13-18;2*1-3-21(28)26(2)18-8-6-17(7-9-18)22-13-23(14-22,15-22)19(27)10-4-16-5-11-20(24)25-12-16/h6-10,12-13H,4-5,11,14-16H2,1-3H3;5-6,8-11,13H,4,7,12,14-16H2,1-3H3;5-9,11-12H,3-4,10,13-15H2,1-2H3;5-9,11-12H,3-4,10,13-15H2,1-2H3,(H2,24,25).

What are the key properties of N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide?

N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide has a molecular weight of 1543.40 g/mol, XLogP of 16.86, 29 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide is sourced from PubChem (CID 167670703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).