N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

C143H129Cl2F8N27O12S — CID 172954786

About N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (PubChem CID 172954786) has the molecular formula C143H129Cl2F8N27O12S and a molecular weight of 2672.74 g/mol. Its IUPAC name is N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.

Molecular Properties

• Compound Name: N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
• PubChem CID: 172954786
• Molecular Formula: C143H129Cl2F8N27O12S
• Molecular Weight: 2672.74 g/mol
• Exact Mass: 2669.93
• IUPAC Name: N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
• SMILES: C=S(=O)(Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F)C(C)C.CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CC/C4=N\O)c(-c3ccncc3)[nH]2)cc1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1.Cc1cccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(N)c(Cl)c3)c2)c1.Cc1cnc(-c2cc(Oc3ccc4c(c3)nc(Nc3ccc(C(F)(F)F)cc3)n4C)ccn2)[nH]1
• InChI: InChI=1S/C27H27N5O2.C27H28N4O2.C24H19F3N6O.C23H20F2N4O2S.C21H16ClF3N4O3.C21H19ClN4O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33;1-17-9-10-21(30-25(32)18-7-6-8-19(13-18)27(2,3)4)15-24(17)29-20-11-12-23-22(14-20)26(33)31(5)16-28-23;1-14-13-29-22(30-14)20-12-18(9-10-28-20)34-17-7-8-21-19(11-17)32-23(33(21)2)31-16-5-3-15(4-6-16)24(25,26)27;1-13(2)32(3,31)29-19-7-6-18(24)20(21(19)25)22(30)17-12-28-23-16(17)9-15(11-27-23)14-5-4-8-26-10-14;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-12-4-3-5-14(8-12)20(27)25-15-7-6-13(2)17(9-15)21(28)26-16-10-18(22)19(23)24-11-16/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30);6-16,29H,1-5H3,(H,30,32);3-13H,1-2H3,(H,29,30)(H,31,32);4-13H,3H2,1-2H3,(H,27,28)(H,29,31);2-11H,1H3,(H,26,30)(H2,28,29,31);3-11H,1-2H3,(H2,23,24)(H,25,27)(H,26,28)/b31-24+
• InChIKey: NMKMBEPKJXBAIM-MKQJCNQYSA-N
• XLogP: 31.20
• TPSA: 520.50 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2672.74
LogP ≤ 5	31.20
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?

The IUPAC name of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (CID 172954786) is N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.

What is the SMILES notation for N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?

The canonical SMILES for N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is C=S(=O)(Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F)C(C)C.CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CC/C4=N\O)c(-c3ccncc3)[nH]2)cc1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1.Cc1cccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(N)c(Cl)c3)c2)c1.Cc1cnc(-c2cc(Oc3ccc4c(c3)nc(Nc3ccc(C(F)(F)F)cc3)n4C)ccn2)[nH]1.

What is the InChIKey of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?

The InChIKey is NMKMBEPKJXBAIM-MKQJCNQYSA-N. The full InChI is InChI=1S/C27H27N5O2.C27H28N4O2.C24H19F3N6O.C23H20F2N4O2S.C21H16ClF3N4O3.C21H19ClN4O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33;1-17-9-10-21(30-25(32)18-7-6-8-19(13-18)27(2,3)4)15-24(17)29-20-11-12-23-22(14-20)26(33)31(5)16-28-23;1-14-13-29-22(30-14)20-12-18(9-10-28-20)34-17-7-8-21-19(11-17)32-23(33(21)2)31-16-5-3-15(4-6-16)24(25,26)27;1-13(2)32(3,31)29-19-7-6-18(24)20(21(19)25)22(30)17-12-28-23-16(17)9-15(11-27-23)14-5-4-8-26-10-14;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-12-4-3-5-14(8-12)20(27)25-15-7-6-13(2)17(9-15)21(28)26-16-10-18(22)19(23)24-11-16/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30);6-16,29H,1-5H3,(H,30,32);3-13H,1-2H3,(H,29,30)(H,31,32);4-13H,3H2,1-2H3,(H,27,28)(H,29,31);2-11H,1H3,(H,26,30)(H2,28,29,31);3-11H,1-2H3,(H2,23,24)(H,25,27)(H,26,28)/b31-24+;;;;;.

What are the key properties of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?

N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine has a molecular weight of 2672.74 g/mol, XLogP of 31.20, 31 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-λ6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 172954786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).