bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane

C185H170ClN25O24 — CID 159141785

IUPACbis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane
SMILESC.C.CCc1cccc([C@H](C)NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccc(C)cc4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccc4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccc4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccc4Cl)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccn4)cc3)c2cc1OC
InChIInChI=1S/C33H32N4O4.C31H28N4O4.C30H25ClN4O4.2C30H26N4O4.C29H25N5O4.2CH4/c1-5-22-8-6-9-23(18-22)21(2)36-33(38)26-10-7-16-35-32(26)37-24-11-13-25(14-12-24)41-29-15-17-34-28-20-31(40-4)30(39-3)19-27(28)29;1-20-6-8-21(9-7-20)19-34-31(36)24-5-4-15-33-30(24)35-22-10-12-23(13-11-22)39-27-14-16-32-26-18-29(38-3)28(37-2)17-25(26)27;1-37-27-16-23-25(17-28(27)38-2)32-15-13-26(23)39-21-11-9-20(10-12-21)35-29-22(7-5-14-33-29)30(36)34-18-19-6-3-4-8-24(19)31;2*1-36-27-17-24-25(18-28(27)37-2)31-16-14-26(24)38-22-12-10-21(11-13-22)34-29-23(9-6-15-32-29)30(35)33-19-20-7-4-3-5-8-20;1-36-26-16-23-24(17-27(26)37-2)31-15-12-25(23)38-21-10-8-19(9-11-21)34-28-22(7-5-14-32-28)29(35)33-18-20-6-3-4-13-30-20;;/h6-21H,5H2,1-4H3,(H,35,37)(H,36,38);4-18H,19H2,1-3H3,(H,33,35)(H,34,36);3-17H,18H2,1-2H3,(H,33,35)(H,34,36);2*3-18H,19H2,1-2H3,(H,32,34)(H,33,35);3-17H,18H2,1-2H3,(H,32,34)(H,33,35);2*1H4/t21-;;;;;;;/m0......./s1
InChIKeyKIEFXOGIPJXYOI-YRXRNLCKSA-N
MW3163.00 g/mol
LogP39.43
Rot. Bonds55

About bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane

bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane (PubChem CID 159141785) has the molecular formula C185H170ClN25O24 and a molecular weight of 3163.00 g/mol. Its IUPAC name is bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane.

Molecular Properties

Compound Namebis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane
PubChem CID159141785
Molecular FormulaC185H170ClN25O24
Molecular Weight3163.00 g/mol
Exact Mass3160.25
IUPAC Namebis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane
SMILESC.C.CCc1cccc([C@H](C)NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccc(C)cc4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccc4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccc4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccc4Cl)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccn4)cc3)c2cc1OC
InChIInChI=1S/C33H32N4O4.C31H28N4O4.C30H25ClN4O4.2C30H26N4O4.C29H25N5O4.2CH4/c1-5-22-8-6-9-23(18-22)21(2)36-33(38)26-10-7-16-35-32(26)37-24-11-13-25(14-12-24)41-29-15-17-34-28-20-31(40-4)30(39-3)19-27(28)29;1-20-6-8-21(9-7-20)19-34-31(36)24-5-4-15-33-30(24)35-22-10-12-23(13-11-22)39-27-14-16-32-26-18-29(38-3)28(37-2)17-25(26)27;1-37-27-16-23-25(17-28(27)38-2)32-15-13-26(23)39-21-11-9-20(10-12-21)35-29-22(7-5-14-33-29)30(36)34-18-19-6-3-4-8-24(19)31;2*1-36-27-17-24-25(18-28(27)37-2)31-16-14-26(24)38-22-12-10-21(11-13-22)34-29-23(9-6-15-32-29)30(35)33-19-20-7-4-3-5-8-20;1-36-26-16-23-24(17-27(26)37-2)31-15-12-25(23)38-21-10-8-19(9-11-21)34-28-22(7-5-14-32-28)29(35)33-18-20-6-3-4-13-30-20;;/h6-21H,5H2,1-4H3,(H,35,37)(H,36,38);4-18H,19H2,1-3H3,(H,33,35)(H,34,36);3-17H,18H2,1-2H3,(H,33,35)(H,34,36);2*3-18H,19H2,1-2H3,(H,32,34)(H,33,35);3-17H,18H2,1-2H3,(H,32,34)(H,33,35);2*1H4/t21-;;;;;;;/m0......./s1
InChIKeyKIEFXOGIPJXYOI-YRXRNLCKSA-N
XLogP39.43
TPSA580.49 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds55
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003163.00
LogP ≤ 539.43
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Analyze bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane?
The IUPAC name of bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane (CID 159141785) is bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane.
What is the SMILES notation for bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane?
The canonical SMILES for bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane is C.C.CCc1cccc([C@H](C)NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccc(C)cc4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccc4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccc4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccc4Cl)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccccn4)cc3)c2cc1OC.
What is the InChIKey of bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane?
The InChIKey is KIEFXOGIPJXYOI-YRXRNLCKSA-N. The full InChI is InChI=1S/C33H32N4O4.C31H28N4O4.C30H25ClN4O4.2C30H26N4O4.C29H25N5O4.2CH4/c1-5-22-8-6-9-23(18-22)21(2)36-33(38)26-10-7-16-35-32(26)37-24-11-13-25(14-12-24)41-29-15-17-34-28-20-31(40-4)30(39-3)19-27(28)29;1-20-6-8-21(9-7-20)19-34-31(36)24-5-4-15-33-30(24)35-22-10-12-23(13-11-22)39-27-14-16-32-26-18-29(38-3)28(37-2)17-25(26)27;1-37-27-16-23-25(17-28(27)38-2)32-15-13-26(23)39-21-11-9-20(10-12-21)35-29-22(7-5-14-33-29)30(36)34-18-19-6-3-4-8-24(19)31;2*1-36-27-17-24-25(18-28(27)37-2)31-16-14-26(24)38-22-12-10-21(11-13-22)34-29-23(9-6-15-32-29)30(35)33-19-20-7-4-3-5-8-20;1-36-26-16-23-24(17-27(26)37-2)31-15-12-25(23)38-21-10-8-19(9-11-21)34-28-22(7-5-14-32-28)29(35)33-18-20-6-3-4-13-30-20;;/h6-21H,5H2,1-4H3,(H,35,37)(H,36,38);4-18H,19H2,1-3H3,(H,33,35)(H,34,36);3-17H,18H2,1-2H3,(H,33,35)(H,34,36);2*3-18H,19H2,1-2H3,(H,32,34)(H,33,35);3-17H,18H2,1-2H3,(H,32,34)(H,33,35);2*1H4/t21-;;;;;;;/m0......./s1.
What are the key properties of bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane?
bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane has a molecular weight of 3163.00 g/mol, XLogP of 39.43, 55 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-benzyl-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide);N-[(2-chlorophenyl)methyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(1S)-1-(3-ethylphenyl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;methane is sourced from PubChem (CID 159141785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).