6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide

C113H89N23O8 — CID 157258773

IUPAC6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1
InChIInChI=1S/C29H26N6O.C29H23N5O3.C28H20N6O.C27H20N6O3/c1-35(2)24-8-9-26-25(18-24)27(13-16-31-26)34-28-10-5-22(19-32-28)29(36)33-23-6-3-20(4-7-23)17-21-11-14-30-15-12-21;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;1-29-22-6-8-25-24(17-22)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-21-4-2-19(3-5-21)16-20-10-13-30-14-11-20;34-27(32-20-3-1-18(2-4-20)15-19-9-12-28-13-10-19)26-7-5-21(17-30-26)31-25-11-14-29-24-8-6-22(33(35)36)16-23(24)25/h3-16,18-19H,17H2,1-2H3,(H,33,36)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,35);2-15,17-18H,16H2,(H,31,33)(H,34,35);1-14,16-17H,15H2,(H,29,31)(H,32,34)
InChIKeyAXFAIGWYCYTEKH-UHFFFAOYSA-N
MW1897.11 g/mol
LogP22.76
Rot. Bonds27

About 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide

6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide (PubChem CID 157258773) has the molecular formula C113H89N23O8 and a molecular weight of 1897.11 g/mol. Its IUPAC name is 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide
PubChem CID157258773
Molecular FormulaC113H89N23O8
Molecular Weight1897.11 g/mol
Exact Mass1895.73
IUPAC Name6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1
InChIInChI=1S/C29H26N6O.C29H23N5O3.C28H20N6O.C27H20N6O3/c1-35(2)24-8-9-26-25(18-24)27(13-16-31-26)34-28-10-5-22(19-32-28)29(36)33-23-6-3-20(4-7-23)17-21-11-14-30-15-12-21;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;1-29-22-6-8-25-24(17-22)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-21-4-2-19(3-5-21)16-20-10-13-30-14-11-20;34-27(32-20-3-1-18(2-4-20)15-19-9-12-28-13-10-19)26-7-5-21(17-30-26)31-25-11-14-29-24-8-6-22(33(35)36)16-23(24)25/h3-16,18-19H,17H2,1-2H3,(H,33,36)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,35);2-15,17-18H,16H2,(H,31,33)(H,34,35);1-14,16-17H,15H2,(H,29,31)(H,32,34)
InChIKeyAXFAIGWYCYTEKH-UHFFFAOYSA-N
XLogP22.76
TPSA396.24 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001897.11
LogP ≤ 522.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-3,4-dihydropyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 159142495
1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-3,4-dihydropyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 161406696
ethyl 6-((2S,4R)-1-acetyl-2-methyl-4-((5-nitropyridin-2-yl)amino)-1,2,3,4-tetrahydroquinolin-6-yl)nicotinate
CID 70976544
ethyl 6-[1-acetyl-2-methyl-4-[(5-nitro-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
CID 77961267
N-[4-cyano-3-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]phenyl]prop-2-enamide;methyl 2-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-6-(prop-2-enoylamino)benzoate
CID 118162820
Methyl 4-[[5-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 130249565
Methyl 5-methyl-2-[[4-(6-nitroquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 143421508
6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
CID 157163093
4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
CID 157185314
4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
CID 157189949
4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 157266394
ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 157455421

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide (CID 157258773) is 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide is CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.
What is the InChIKey of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is AXFAIGWYCYTEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O.C29H23N5O3.C28H20N6O.C27H20N6O3/c1-35(2)24-8-9-26-25(18-24)27(13-16-31-26)34-28-10-5-22(19-32-28)29(36)33-23-6-3-20(4-7-23)17-21-11-14-30-15-12-21;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;1-29-22-6-8-25-24(17-22)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-21-4-2-19(3-5-21)16-20-10-13-30-14-11-20;34-27(32-20-3-1-18(2-4-20)15-19-9-12-28-13-10-19)26-7-5-21(17-30-26)31-25-11-14-29-24-8-6-22(33(35)36)16-23(24)25/h3-16,18-19H,17H2,1-2H3,(H,33,36)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,35);2-15,17-18H,16H2,(H,31,33)(H,34,35);1-14,16-17H,15H2,(H,29,31)(H,32,34).
What are the key properties of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide?
6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 1897.11 g/mol, XLogP of 22.76, 27 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 157258773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).