2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine

C80H68ClN15O10 — CID 157054027

IUPAC2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine
SMILESC.Nc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)cc1.Nc1ccncc1.O=C(Nc1ccncc1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12.O=[N+]([O-])c1ccc(CCl)cc1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H16N4O4.C22H18N4O2.C15H11N3O2.C8H7N.C7H6ClNO2.C5H6N2.CH4/c27-21(22(28)24-16-9-11-23-12-10-16)19-14-25(20-4-2-1-3-18(19)20)13-15-5-7-17(8-6-15)26(29)30;23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17;19-14(15(20)18-10-5-7-16-8-6-10)12-9-17-13-4-2-1-3-11(12)13;1-2-4-8-7(3-1)5-6-9-8;8-5-6-1-3-7(4-2-6)9(10)11;6-5-1-3-7-4-2-5;/h1-12,14H,13H2,(H,23,24,28);1-12,14H,13,23H2,(H,24,25,28);1-9,17H,(H,16,18,20);1-6,9H;1-4H,5H2;1-4H,(H2,6,7);1H4
InChIKeyAANOTHJTGKBQPT-UHFFFAOYSA-N
MW1434.97 g/mol
LogP15.49
Rot. Bonds16

About 2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine

2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine (PubChem CID 157054027) has the molecular formula C80H68ClN15O10 and a molecular weight of 1434.97 g/mol. Its IUPAC name is 2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine.

Molecular Properties

Compound Name2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine
PubChem CID157054027
Molecular FormulaC80H68ClN15O10
Molecular Weight1434.97 g/mol
Exact Mass1433.50
IUPAC Name2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine
SMILESC.Nc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)cc1.Nc1ccncc1.O=C(Nc1ccncc1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12.O=[N+]([O-])c1ccc(CCl)cc1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H16N4O4.C22H18N4O2.C15H11N3O2.C8H7N.C7H6ClNO2.C5H6N2.CH4/c27-21(22(28)24-16-9-11-23-12-10-16)19-14-25(20-4-2-1-3-18(19)20)13-15-5-7-17(8-6-15)26(29)30;23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17;19-14(15(20)18-10-5-7-16-8-6-10)12-9-17-13-4-2-1-3-11(12)13;1-2-4-8-7(3-1)5-6-9-8;8-5-6-1-3-7(4-2-6)9(10)11;6-5-1-3-7-4-2-5;/h1-12,14H,13H2,(H,23,24,28);1-12,14H,13,23H2,(H,24,25,28);1-9,17H,(H,16,18,20);1-6,9H;1-4H,5H2;1-4H,(H2,6,7);1H4
InChIKeyAANOTHJTGKBQPT-UHFFFAOYSA-N
XLogP15.49
TPSA369.83 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001434.97
LogP ≤ 515.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

3,4-bis(6-amino-1H-indol-3-yl)pyrrole-2,5-dione;3,4-bis(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione
CID 88150657
2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;4-methylpyridine;1-[(4-nitrophenyl)methyl]indole;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 90942823
1-(chloromethyl)-4-fluorobenzene;1-[(4-fluorophenyl)methyl]indole;2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;4-methylpyridine
CID 91077289
(3S,6S,9R,12R)-6-[(2-bromo-1H-indol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;bis((3S,6S,9R,12R)-3-butan-2-yl-6-(1H-indol-3-ylmethyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone);(3S,6S,9R,12R)-3-butan-2-yl-6-[2-(2-nitrophenyl)-2-oxoethyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-9-(6-oxooctyl)-6-[(1-propylindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 157232814
3-(1-acetylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione;3-(1H-indol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione;methane
CID 157541140
1-chloro-4-(chloromethyl)benzene;2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylquinolin-6-yl)-2-oxoacetamide;1H-indole;2-(1H-indol-3-yl)-N-(2-methylquinolin-6-yl)-2-oxoacetamide;2-methylquinolin-6-amine
CID 157541915
2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-methylbenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine
CID 157560631
aniline;1-(chloromethyl)-4-fluorobenzene;2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide
CID 158646762
bis(N-cyclopenta-1,3-dien-1-yl-2-(1H-indol-3-yl)-2-oxoacetamide);ethane;tris(2-(1H-indol-3-yl)-2-oxo-N-phenylacetamide);propane
CID 158653825
4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium
CID 158674672
1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 158786547
1-(chloromethyl)-4-fluorobenzene;2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine
CID 158917365

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine?
The IUPAC name of 2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine (CID 157054027) is 2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine.
What is the SMILES notation for 2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine?
The canonical SMILES for 2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine is C.Nc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)cc1.Nc1ccncc1.O=C(Nc1ccncc1)C(=O)c1c[nH]c2ccccc12.O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12.O=[N+]([O-])c1ccc(CCl)cc1.c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine?
The InChIKey is AANOTHJTGKBQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4.C22H18N4O2.C15H11N3O2.C8H7N.C7H6ClNO2.C5H6N2.CH4/c27-21(22(28)24-16-9-11-23-12-10-16)19-14-25(20-4-2-1-3-18(19)20)13-15-5-7-17(8-6-15)26(29)30;23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17;19-14(15(20)18-10-5-7-16-8-6-10)12-9-17-13-4-2-1-3-11(12)13;1-2-4-8-7(3-1)5-6-9-8;8-5-6-1-3-7(4-2-6)9(10)11;6-5-1-3-7-4-2-5;/h1-12,14H,13H2,(H,23,24,28);1-12,14H,13,23H2,(H,24,25,28);1-9,17H,(H,16,18,20);1-6,9H;1-4H,5H2;1-4H,(H2,6,7);1H4.
What are the key properties of 2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine?
2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine has a molecular weight of 1434.97 g/mol, XLogP of 15.49, 16 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-aminophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;1-(chloromethyl)-4-nitrobenzene;1H-indole;2-(1H-indol-3-yl)-2-oxo-N-pyridin-4-ylacetamide;methane;2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;pyridin-4-amine is sourced from PubChem (CID 157054027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).