N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid

C116H133N11O8S — CID 158667309

About N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid

N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid (PubChem CID 158667309) has the molecular formula C116H133N11O8S and a molecular weight of 1841.48 g/mol. Its IUPAC name is N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid.

Molecular Properties

• Compound Name: N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid
• PubChem CID: 158667309
• Molecular Formula: C116H133N11O8S
• Molecular Weight: 1841.48 g/mol
• Exact Mass: 1840.01
• IUPAC Name: N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid
• SMILES: CCCCc1ccc(OCCN(c2ccccc2)c2cccc(OC)n2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2cccnc2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2nccs2)cc1.CN(C)c1ccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccn2)cc1
• InChI: InChI=1S/C25H29N3O3.C24H28N2O2.2C23H26N2O.C21H24N2OS/c1-27(2)21-11-13-22(14-12-21)28(24-7-3-4-17-26-24)18-19-31-23-15-9-20(10-16-23)6-5-8-25(29)30;1-3-4-9-20-14-16-22(17-15-20)28-19-18-26(21-10-6-5-7-11-21)23-12-8-13-24(25-23)27-2;1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23;1-2-3-8-20-12-14-23(15-13-20)26-18-17-25(21-9-5-4-6-10-21)22-11-7-16-24-19-22;1-2-3-7-18-10-12-20(13-11-18)24-16-15-23(21-22-14-17-25-21)19-8-5-4-6-9-19/h3-4,7,9-17H,5-6,8,18-19H2,1-2H3,(H,29,30);5-8,10-17H,3-4,9,18-19H2,1-2H3;4-8,10-17H,2-3,9,18-19H2,1H3;4-7,9-16,19H,2-3,8,17-18H2,1H3;4-6,8-14,17H,2-3,7,15-16H2,1H3
• InChIKey: IDNFVTNNKNBMOM-UHFFFAOYSA-N
• XLogP: 27.41
• TPSA: 176.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 48
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1841.48
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid?

The IUPAC name of N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid (CID 158667309) is N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid.

What is the SMILES notation for N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid?

The canonical SMILES for N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid is CCCCc1ccc(OCCN(c2ccccc2)c2cccc(OC)n2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2cccnc2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2nccs2)cc1.CN(C)c1ccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccn2)cc1.

What is the InChIKey of N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid?

The InChIKey is IDNFVTNNKNBMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3.C24H28N2O2.2C23H26N2O.C21H24N2OS/c1-27(2)21-11-13-22(14-12-21)28(24-7-3-4-17-26-24)18-19-31-23-15-9-20(10-16-23)6-5-8-25(29)30;1-3-4-9-20-14-16-22(17-15-20)28-19-18-26(21-10-6-5-7-11-21)23-12-8-13-24(25-23)27-2;1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23;1-2-3-8-20-12-14-23(15-13-20)26-18-17-25(21-9-5-4-6-10-21)22-11-7-16-24-19-22;1-2-3-7-18-10-12-20(13-11-18)24-16-15-23(21-22-14-17-25-21)19-8-5-4-6-9-19/h3-4,7,9-17H,5-6,8,18-19H2,1-2H3,(H,29,30);5-8,10-17H,3-4,9,18-19H2,1-2H3;4-8,10-17H,2-3,9,18-19H2,1H3;4-7,9-16,19H,2-3,8,17-18H2,1H3;4-6,8-14,17H,2-3,7,15-16H2,1H3.

What are the key properties of N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid?

N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid has a molecular weight of 1841.48 g/mol, XLogP of 27.41, 48 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid is sourced from PubChem (CID 158667309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).