5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid

C143H113F2N23O8 — CID 157295081

IUPAC5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Cc1cccc(Cc2ccncc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)cn1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1
InChIInChI=1S/C29H22FN3O.C29H26N6O.C29H23N5O2.C29H22N4O3.C27H20FN5O/c30-24-7-8-27-26(19-24)28(11-14-32-27)33-25-6-2-5-23(18-25)29(34)17-22-4-1-3-21(16-22)15-20-9-12-31-13-10-20;1-35(2)24-8-10-26-25(18-24)27(13-16-31-26)33-23-7-9-28(32-19-23)29(36)34-22-5-3-20(4-6-22)17-21-11-14-30-15-12-21;1-19(35)22-4-8-26-25(17-22)27(12-15-31-26)33-24-7-9-28(32-18-24)29(36)34-23-5-2-20(3-6-23)16-21-10-13-30-14-11-21;34-28(33-24-6-1-19(2-7-24)17-20-11-14-30-15-12-20)21-3-8-23(9-4-21)32-27-13-16-31-26-10-5-22(29(35)36)18-25(26)27;28-20-3-7-24-23(16-20)25(11-14-30-24)32-22-6-8-26(31-17-22)27(34)33-21-4-1-18(2-5-21)15-19-9-12-29-13-10-19/h1-14,16,18-19H,15,17H2,(H,32,33);3-16,18-19H,17H2,1-2H3,(H,31,33)(H,34,36);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,36);1-16,18H,17H2,(H,31,32)(H,33,34)(H,35,36);1-14,16-17H,15H2,(H,30,32)(H,33,34)
InChIKeyBBGGZLZMRHNASD-UHFFFAOYSA-N
MW2319.63 g/mol
LogP29.69
Rot. Bonds34

About 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid

5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid (PubChem CID 157295081) has the molecular formula C143H113F2N23O8 and a molecular weight of 2319.63 g/mol. Its IUPAC name is 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
PubChem CID157295081
Molecular FormulaC143H113F2N23O8
Molecular Weight2319.63 g/mol
Exact Mass2317.91
IUPAC Name5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Cc1cccc(Cc2ccncc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)cn1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1
InChIInChI=1S/C29H22FN3O.C29H26N6O.C29H23N5O2.C29H22N4O3.C27H20FN5O/c30-24-7-8-27-26(19-24)28(11-14-32-27)33-25-6-2-5-23(18-25)29(34)17-22-4-1-3-21(16-22)15-20-9-12-31-13-10-20;1-35(2)24-8-10-26-25(18-24)27(13-16-31-26)33-23-7-9-28(32-19-23)29(36)34-22-5-3-20(4-6-22)17-21-11-14-30-15-12-21;1-19(35)22-4-8-26-25(17-22)27(12-15-31-26)33-24-7-9-28(32-18-24)29(36)34-23-5-2-20(3-6-23)16-21-10-13-30-14-11-21;34-28(33-24-6-1-19(2-7-24)17-20-11-14-30-15-12-20)21-3-8-23(9-4-21)32-27-13-16-31-26-10-5-22(29(35)36)18-25(26)27;28-20-3-7-24-23(16-20)25(11-14-30-24)32-22-6-8-26(31-17-22)27(34)33-21-4-1-18(2-5-21)15-19-9-12-29-13-10-19/h1-14,16,18-19H,15,17H2,(H,32,33);3-16,18-19H,17H2,1-2H3,(H,31,33)(H,34,36);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,36);1-16,18H,17H2,(H,31,32)(H,33,34)(H,35,36);1-14,16-17H,15H2,(H,30,32)(H,33,34)
InChIKeyBBGGZLZMRHNASD-UHFFFAOYSA-N
XLogP29.69
TPSA418.80 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds34
Heavy Atoms176
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002319.63
LogP ≤ 529.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid?
The IUPAC name of 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid (CID 157295081) is 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid.
What is the SMILES notation for 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid?
The canonical SMILES for 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid is CC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Cc1cccc(Cc2ccncc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)cn1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.
What is the InChIKey of 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid?
The InChIKey is BBGGZLZMRHNASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN3O.C29H26N6O.C29H23N5O2.C29H22N4O3.C27H20FN5O/c30-24-7-8-27-26(19-24)28(11-14-32-27)33-25-6-2-5-23(18-25)29(34)17-22-4-1-3-21(16-22)15-20-9-12-31-13-10-20;1-35(2)24-8-10-26-25(18-24)27(13-16-31-26)33-23-7-9-28(32-19-23)29(36)34-22-5-3-20(4-6-22)17-21-11-14-30-15-12-21;1-19(35)22-4-8-26-25(17-22)27(12-15-31-26)33-24-7-9-28(32-18-24)29(36)34-23-5-2-20(3-6-23)16-21-10-13-30-14-11-21;34-28(33-24-6-1-19(2-7-24)17-20-11-14-30-15-12-20)21-3-8-23(9-4-21)32-27-13-16-31-26-10-5-22(29(35)36)18-25(26)27;28-20-3-7-24-23(16-20)25(11-14-30-24)32-22-6-8-26(31-17-22)27(34)33-21-4-1-18(2-5-21)15-19-9-12-29-13-10-19/h1-14,16,18-19H,15,17H2,(H,32,33);3-16,18-19H,17H2,1-2H3,(H,31,33)(H,34,36);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,36);1-16,18H,17H2,(H,31,32)(H,33,34)(H,35,36);1-14,16-17H,15H2,(H,30,32)(H,33,34).
What are the key properties of 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid?
5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid has a molecular weight of 2319.63 g/mol, XLogP of 29.69, 34 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid is sourced from PubChem (CID 157295081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).