cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate

C100H83ClF8N16O23 — CID 157270875

About cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate

cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate (PubChem CID 157270875) has the molecular formula C100H83ClF8N16O23 and a molecular weight of 2064.29 g/mol. Its IUPAC name is cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

• Compound Name: cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate
• PubChem CID: 157270875
• Molecular Formula: C100H83ClF8N16O23
• Molecular Weight: 2064.29 g/mol
• Exact Mass: 2062.54
• IUPAC Name: cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate
• SMILES: COC(=O)CCl.COC(=O)Cn1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)ccc1=O.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)[nH]c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)n(CC(=O)NC#N)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)n(CC(=O)O)c1.N#CN
• InChI: InChI=1S/C25H19F2N5O5.C25H21F2N3O6.C24H19F2N3O6.C22H17F2N3O4.C3H5ClO2.CH2N2/c1-14-2-6-19(30-22(14)15-3-7-21(34)32(11-15)12-20(33)29-13-28)31-23(35)24(8-9-24)16-4-5-17-18(10-16)37-25(26,27)36-17;1-14-3-7-19(28-22(14)15-4-8-20(31)30(12-15)13-21(32)34-2)29-23(33)24(9-10-24)16-5-6-17-18(11-16)36-25(26,27)35-17;1-13-2-6-18(27-21(13)14-3-7-19(30)29(11-14)12-20(31)32)28-22(33)23(8-9-23)15-4-5-16-17(10-15)35-24(25,26)34-16;1-12-2-6-17(26-19(12)13-3-7-18(28)25-11-13)27-20(29)21(8-9-21)14-4-5-15-16(10-14)31-22(23,24)30-15;1-6-3(5)2-4;2-1-3/h2-7,10-11H,8-9,12H2,1H3,(H,29,33)(H,30,31,35);3-8,11-12H,9-10,13H2,1-2H3,(H,28,29,33);2-7,10-11H,8-9,12H2,1H3,(H,31,32)(H,27,28,33);2-7,10-11H,8-9H2,1H3,(H,25,28)(H,26,27,29);2H2,1H3;2H2
• InChIKey: AYNDXVVJAMIMSL-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 533.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2064.29
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate?

The IUPAC name of cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate (CID 157270875) is cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate.

What is the SMILES notation for cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate?

The canonical SMILES for cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate is COC(=O)CCl.COC(=O)Cn1cc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)ccc1=O.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)[nH]c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)n(CC(=O)NC#N)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(=O)n(CC(=O)O)c1.N#CN.

What is the InChIKey of cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate?

The InChIKey is AYNDXVVJAMIMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O5.C25H21F2N3O6.C24H19F2N3O6.C22H17F2N3O4.C3H5ClO2.CH2N2/c1-14-2-6-19(30-22(14)15-3-7-21(34)32(11-15)12-20(33)29-13-28)31-23(35)24(8-9-24)16-4-5-17-18(10-16)37-25(26,27)36-17;1-14-3-7-19(28-22(14)15-4-8-20(31)30(12-15)13-21(32)34-2)29-23(33)24(9-10-24)16-5-6-17-18(11-16)36-25(26,27)35-17;1-13-2-6-18(27-21(13)14-3-7-19(30)29(11-14)12-20(31)32)28-22(33)23(8-9-23)15-4-5-16-17(10-15)35-24(25,26)34-16;1-12-2-6-17(26-19(12)13-3-7-18(28)25-11-13)27-20(29)21(8-9-21)14-4-5-15-16(10-14)31-22(23,24)30-15;1-6-3(5)2-4;2-1-3/h2-7,10-11H,8-9,12H2,1H3,(H,29,33)(H,30,31,35);3-8,11-12H,9-10,13H2,1-2H3,(H,28,29,33);2-7,10-11H,8-9,12H2,1H3,(H,31,32)(H,27,28,33);2-7,10-11H,8-9H2,1H3,(H,25,28)(H,26,27,29);2H2,1H3;2H2.

What are the key properties of cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate?

cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate has a molecular weight of 2064.29 g/mol, XLogP of 13.05, 23 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for cyanamide;N-[6-[1-[2-(cyanoamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetic acid;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl 2-chloroacetate;methyl 2-[5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 157270875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).