N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine

C145H136Cl2F2N24O13S — CID 172952203

About N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine

N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine (PubChem CID 172952203) has the molecular formula C145H136Cl2F2N24O13S and a molecular weight of 2563.81 g/mol. Its IUPAC name is N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine.

Molecular Properties

• Compound Name: N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine
• PubChem CID: 172952203
• Molecular Formula: C145H136Cl2F2N24O13S
• Molecular Weight: 2563.81 g/mol
• Exact Mass: 2560.98
• IUPAC Name: N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine
• SMILES: CC(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.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)c3)cc2)ccn1.Cc1ccc(CC(=O)c2cccc(C(C)(C)C)c2)cc1Cc1ccc2ncn(C)c(=O)c2c1.Cc1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C)[nH]5)c4)ccc3n2C)cc1.Cc1cccc(C(=O)Cc2ccc(C)c(C(=O)Nc3cnc(N)c(Cl)c3)c2)c1
• InChI: InChI=1S/C29H30N2O2.C27H27N5O2.C24H22N6O.C22H20ClN3O2.C22H18F2N4O3S.C21H19ClN4O3/c1-19-9-10-21(16-27(32)22-7-6-8-24(17-22)29(2,3)4)14-23(19)13-20-11-12-26-25(15-20)28(33)31(5)18-30-26;1-32(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;1-15-4-6-17(7-5-15)28-24-29-20-12-18(8-9-22(20)30(24)3)31-19-10-11-25-21(13-19)23-26-14-16(2)27-23;1-13-4-3-5-16(8-13)20(27)10-15-7-6-14(2)18(9-15)22(28)26-17-11-19(23)21(24)25-12-17;1-12(2)32(30,31)28-18-6-5-17(23)19(20(18)24)21(29)16-11-27-22-15(16)8-14(10-26-22)13-4-3-7-25-9-13;1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2/h6-12,14-15,17-18H,13,16H2,1-5H3;3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30);4-14H,1-3H3,(H,26,27)(H,28,29);3-9,11-12H,10H2,1-2H3,(H2,24,25)(H,26,28);3-12,28H,1-2H3,(H,26,27);3-12H,1-2H3,(H,23,27)(H2,25,26,28)/b;31-24+
• InChIKey: VJNSIPLTMWRAGP-RJPNPPHZSA-N
• XLogP: 29.67
• TPSA: 501.48 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2563.81
LogP ≤ 5	29.67
H-Bond Donors ≤ 5	11
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'}

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine?

The IUPAC name of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine (CID 172952203) is N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine.

What is the SMILES notation for N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine?

The canonical SMILES for N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine is CC(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.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)c3)cc2)ccn1.Cc1ccc(CC(=O)c2cccc(C(C)(C)C)c2)cc1Cc1ccc2ncn(C)c(=O)c2c1.Cc1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C)[nH]5)c4)ccc3n2C)cc1.Cc1cccc(C(=O)Cc2ccc(C)c(C(=O)Nc3cnc(N)c(Cl)c3)c2)c1.

What is the InChIKey of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine?

The InChIKey is VJNSIPLTMWRAGP-RJPNPPHZSA-N. The full InChI is InChI=1S/C29H30N2O2.C27H27N5O2.C24H22N6O.C22H20ClN3O2.C22H18F2N4O3S.C21H19ClN4O3/c1-19-9-10-21(16-27(32)22-7-6-8-24(17-22)29(2,3)4)14-23(19)13-20-11-12-26-25(15-20)28(33)31(5)18-30-26;1-32(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;1-15-4-6-17(7-5-15)28-24-29-20-12-18(8-9-22(20)30(24)3)31-19-10-11-25-21(13-19)23-26-14-16(2)27-23;1-13-4-3-5-16(8-13)20(27)10-15-7-6-14(2)18(9-15)22(28)26-17-11-19(23)21(24)25-12-17;1-12(2)32(30,31)28-18-6-5-17(23)19(20(18)24)21(29)16-11-27-22-15(16)8-14(10-26-22)13-4-3-7-25-9-13;1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2/h6-12,14-15,17-18H,13,16H2,1-5H3;3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30);4-14H,1-3H3,(H,26,27)(H,28,29);3-9,11-12H,10H2,1-2H3,(H2,24,25)(H,26,28);3-12,28H,1-2H3,(H,26,27);3-12H,1-2H3,(H,23,27)(H2,25,26,28)/b;31-24+;;;;.

What are the key properties of N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine?

N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine has a molecular weight of 2563.81 g/mol, XLogP of 29.67, 33 rotatable bonds, 11 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-[2-(3-methylphenyl)-2-oxoethyl]benzamide;6-[[5-[2-(3-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]methyl]-3-methylquinazolin-4-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;(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-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 172952203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).