4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane

C90H88AlCl5N14O7 — CID 157448641

IUPAC4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane
SMILESCCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1Nc1ccccc1.COC(=O)Cc1cc(N)ccc1C.C[Al](C)C.O=Cc1cnc(Cl)cc1Nc1ccccc1.[H]/N=c1\c(-c2cc(N)ccc2C)cc2cnc(C)cc2n1-c1ccccc1.[H]/N=c1\c(-c2cc(N)ccc2C)cc2cnc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C22H20N4.C21H17ClN4.C14H13ClN2O2.C12H9ClN2O.C10H13NO2.C8H7Cl2NO2.3CH3.Al/c1-14-8-9-17(23)12-19(14)20-11-16-13-25-15(2)10-21(16)26(22(20)24)18-6-4-3-5-7-18;1-13-7-8-15(23)10-17(13)18-9-14-12-25-20(22)11-19(14)26(21(18)24)16-5-3-2-4-6-16;1-2-19-14(18)11-9-16-13(15)8-12(11)17-10-6-4-3-5-7-10;13-12-6-11(9(8-16)7-14-12)15-10-4-2-1-3-5-10;1-7-3-4-9(11)5-8(7)6-10(12)13-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;;;;/h3-13,24H,23H2,1-2H3;2-12,24H,23H2,1H3;3-9H,2H2,1H3,(H,16,17);1-8H,(H,14,15);3-5H,6,11H2,1-2H3;3-4H,2H2,1H3;3*1H3;/b24-22+;24-21+;;;;;;;;
InChIKeyWEDPVGOILUFRRS-WISXKDCVSA-N
MW1682.03 g/mol
LogP21.26
Rot. Bonds15

About 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane

4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane (PubChem CID 157448641) has the molecular formula C90H88AlCl5N14O7 and a molecular weight of 1682.03 g/mol. Its IUPAC name is 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane.

Molecular Properties

Compound Name4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane
PubChem CID157448641
Molecular FormulaC90H88AlCl5N14O7
Molecular Weight1682.03 g/mol
Exact Mass1678.52
IUPAC Name4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane
SMILESCCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1Nc1ccccc1.COC(=O)Cc1cc(N)ccc1C.C[Al](C)C.O=Cc1cnc(Cl)cc1Nc1ccccc1.[H]/N=c1\c(-c2cc(N)ccc2C)cc2cnc(C)cc2n1-c1ccccc1.[H]/N=c1\c(-c2cc(N)ccc2C)cc2cnc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C22H20N4.C21H17ClN4.C14H13ClN2O2.C12H9ClN2O.C10H13NO2.C8H7Cl2NO2.3CH3.Al/c1-14-8-9-17(23)12-19(14)20-11-16-13-25-15(2)10-21(16)26(22(20)24)18-6-4-3-5-7-18;1-13-7-8-15(23)10-17(13)18-9-14-12-25-20(22)11-19(14)26(21(18)24)16-5-3-2-4-6-16;1-2-19-14(18)11-9-16-13(15)8-12(11)17-10-6-4-3-5-7-10;13-12-6-11(9(8-16)7-14-12)15-10-4-2-1-3-5-10;1-7-3-4-9(11)5-8(7)6-10(12)13-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;;;;/h3-13,24H,23H2,1-2H3;2-12,24H,23H2,1H3;3-9H,2H2,1H3,(H,16,17);1-8H,(H,14,15);3-5H,6,11H2,1-2H3;3-4H,2H2,1H3;3*1H3;/b24-22+;24-21+;;;;;;;;
InChIKeyWEDPVGOILUFRRS-WISXKDCVSA-N
XLogP21.26
TPSA320.10 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001682.03
LogP ≤ 521.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane?
The IUPAC name of 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane (CID 157448641) is 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane.
What is the SMILES notation for 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane?
The canonical SMILES for 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane is CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1Nc1ccccc1.COC(=O)Cc1cc(N)ccc1C.C[Al](C)C.O=Cc1cnc(Cl)cc1Nc1ccccc1.[H]/N=c1\c(-c2cc(N)ccc2C)cc2cnc(C)cc2n1-c1ccccc1.[H]/N=c1\c(-c2cc(N)ccc2C)cc2cnc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane?
The InChIKey is WEDPVGOILUFRRS-WISXKDCVSA-N. The full InChI is InChI=1S/C22H20N4.C21H17ClN4.C14H13ClN2O2.C12H9ClN2O.C10H13NO2.C8H7Cl2NO2.3CH3.Al/c1-14-8-9-17(23)12-19(14)20-11-16-13-25-15(2)10-21(16)26(22(20)24)18-6-4-3-5-7-18;1-13-7-8-15(23)10-17(13)18-9-14-12-25-20(22)11-19(14)26(21(18)24)16-5-3-2-4-6-16;1-2-19-14(18)11-9-16-13(15)8-12(11)17-10-6-4-3-5-7-10;13-12-6-11(9(8-16)7-14-12)15-10-4-2-1-3-5-10;1-7-3-4-9(11)5-8(7)6-10(12)13-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;;;;/h3-13,24H,23H2,1-2H3;2-12,24H,23H2,1H3;3-9H,2H2,1H3,(H,16,17);1-8H,(H,14,15);3-5H,6,11H2,1-2H3;3-4H,2H2,1H3;3*1H3;/b24-22+;24-21+;;;;;;;;.
What are the key properties of 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane?
4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane has a molecular weight of 1682.03 g/mol, XLogP of 21.26, 15 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-chloropyridine-3-carbaldehyde;3-(7-chloro-2-imino-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;3-(2-imino-7-methyl-1-phenyl-1,6-naphthyridin-3-yl)-4-methylaniline;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane is sourced from PubChem (CID 157448641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).