N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C102H103Cl5F2N20O13S5 — CID 158422489

About N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 158422489) has the molecular formula C102H103Cl5F2N20O13S5 and a molecular weight of 2192.67 g/mol. Its IUPAC name is N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
• PubChem CID: 158422489
• Molecular Formula: C102H103Cl5F2N20O13S5
• Molecular Weight: 2192.67 g/mol
• Exact Mass: 2188.50
• IUPAC Name: N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3cc(Cl)sc3Cl)c2)ccn1.CC(=O)Nc1cc(-c2cnc(Cl)c(N3CCCN(C)S3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)CC34CC5CC(CC(C5)C3)C4)c2)ccn1.CCc1c(-c2ccnc(NC(C)=O)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1C(=O)N1CC(C)(C)C1
• InChI: InChI=1S/C24H25ClN6O.C23H27N3O3S.C21H18ClF2N3O3S.C18H15Cl2N3O3S2.C16H18ClN5O3S/c1-14-17(11-28-21(25)20(14)23(32)31-12-24(2,3)13-31)16-6-8-26-19(10-16)29-18-7-9-27-22(30-18)15-4-5-15;1-15(27)26-22-8-19(2-3-25-22)20-7-21(13-24-12-20)30(28,29)14-23-9-16-4-17(10-23)6-18(5-16)11-23;1-3-15-16(13-6-7-25-20(8-13)27-12(2)28)10-26-21(22)17(15)11-31(29,30)19-5-4-14(23)9-18(19)24;1-10-14(9-28(25,26)15-7-16(19)27-18(15)20)5-13(8-22-10)12-3-4-21-17(6-12)23-11(2)24;1-11(23)20-15-9-12(4-5-18-15)13-8-14(16(17)19-10-13)22-7-3-6-21(2)26(22,24)25/h6-11,15H,4-5,12-13H2,1-3H3,(H,26,27,29,30);2-3,7-8,12-13,16-18H,4-6,9-11,14H2,1H3,(H,25,26,27);4-10H,3,11H2,1-2H3,(H,25,27,28);3-8H,9H2,1-2H3,(H,21,23,24);4-5,8-10H,3,6-7H2,1-2H3,(H,18,20,23)
• InChIKey: HAQQBHAQRMLIOZ-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 446.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2192.67
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 158422489) is N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3cc(Cl)sc3Cl)c2)ccn1.CC(=O)Nc1cc(-c2cnc(Cl)c(N3CCCN(C)S3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)CC34CC5CC(CC(C5)C3)C4)c2)ccn1.CCc1c(-c2ccnc(NC(C)=O)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1C(=O)N1CC(C)(C)C1.

What is the InChIKey of N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

The InChIKey is HAQQBHAQRMLIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O.C23H27N3O3S.C21H18ClF2N3O3S.C18H15Cl2N3O3S2.C16H18ClN5O3S/c1-14-17(11-28-21(25)20(14)23(32)31-12-24(2,3)13-31)16-6-8-26-19(10-16)29-18-7-9-27-22(30-18)15-4-5-15;1-15(27)26-22-8-19(2-3-25-22)20-7-21(13-24-12-20)30(28,29)14-23-9-16-4-17(10-23)6-18(5-16)11-23;1-3-15-16(13-6-7-25-20(8-13)27-12(2)28)10-26-21(22)17(15)11-31(29,30)19-5-4-14(23)9-18(19)24;1-10-14(9-28(25,26)15-7-16(19)27-18(15)20)5-13(8-22-10)12-3-4-21-17(6-12)23-11(2)24;1-11(23)20-15-9-12(4-5-18-15)13-8-14(16(17)19-10-13)22-7-3-6-21(2)26(22,24)25/h6-11,15H,4-5,12-13H2,1-3H3,(H,26,27,29,30);2-3,7-8,12-13,16-18H,4-6,9-11,14H2,1H3,(H,25,26,27);4-10H,3,11H2,1-2H3,(H,25,27,28);3-8H,9H2,1-2H3,(H,21,23,24);4-5,8-10H,3,6-7H2,1-2H3,(H,18,20,23).

What are the key properties of N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 2192.67 g/mol, XLogP of 20.56, 24 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(1-adamantylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide;[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-(3,3-dimethylazetidin-1-yl)methanone;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158422489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).