bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide)

C98H74Cl4N18O10 — CID 159772197

IUPACbis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide)
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1
InChIInChI=1S/2C25H19ClN4O3.2C24H18ClN5O2/c2*1-33-23-12-10-19(15-28-23)30-25(32)17-7-5-16(6-8-17)24(31)29-18-9-11-21(26)20(14-18)22-4-2-3-13-27-22;2*25-20-10-8-17(13-19(20)21-3-1-2-12-27-21)29-23(31)15-4-6-16(7-5-15)24(32)30-18-9-11-22(26)28-14-18/h2*2-15H,1H3,(H,29,31)(H,30,32);2*1-14H,(H2,26,28)(H,29,31)(H,30,32)
InChIKeyNGGIMYYQNVGMIM-UHFFFAOYSA-N
MW1805.60 g/mol
LogP20.39
Rot. Bonds22

About bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide)

bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide) (PubChem CID 159772197) has the molecular formula C98H74Cl4N18O10 and a molecular weight of 1805.60 g/mol. Its IUPAC name is bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide).

Molecular Properties

Compound Namebis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide)
PubChem CID159772197
Molecular FormulaC98H74Cl4N18O10
Molecular Weight1805.60 g/mol
Exact Mass1802.46
IUPAC Namebis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide)
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1
InChIInChI=1S/2C25H19ClN4O3.2C24H18ClN5O2/c2*1-33-23-12-10-19(15-28-23)30-25(32)17-7-5-16(6-8-17)24(31)29-18-9-11-21(26)20(14-18)22-4-2-3-13-27-22;2*25-20-10-8-17(13-19(20)21-3-1-2-12-27-21)29-23(31)15-4-6-16(7-5-15)24(32)30-18-9-11-22(26)28-14-18/h2*2-15H,1H3,(H,29,31)(H,30,32);2*1-14H,(H2,26,28)(H,29,31)(H,30,32)
InChIKeyNGGIMYYQNVGMIM-UHFFFAOYSA-N
XLogP20.39
TPSA406.42 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001805.60
LogP ≤ 520.39
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide) with MolForge

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

Launch Full Analysis

Related Compounds

N-(6-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-pyrimidin-4-ylbenzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;N-(6-methoxy-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;N-(2-methyl-4-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
CID 157733649
N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide
CID 160837883
2-chloro-N1-(4-chloro-3-(pyridin-2-yl)phenyl)-N4-(6-methoxypyridin-3-yl)terephthalamide
CID 44252585
N1-(4-chloro-3-(pyridin-2-yl)phenyl)-N4-(6-methoxypyridin-3-yl)terephthalamide
CID 58614809
4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide
CID 121363899
1-[6-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-(cyclopentylcarbamoylamino)-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-4-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 155171003
4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide
CID 157302770
2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 157421158
2-N-benzyl-5-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-2,5-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,5-dicarboxamide
CID 157929553
4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 157958376
4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-4-N-(6-chloro-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide
CID 157998398
1-[2-[[5-Chloro-2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[5-chloro-2-[(2-methoxy-5-methyl-4-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]but-3-en-2-one;1-[2-[[5-chloro-2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;3-[[5-chloro-4-[4-methyl-2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]benzamide;1-[2-[[5-chloro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(2,6-dimethoxy-4-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one
CID 158185748

Frequently Asked Questions

What is the IUPAC name of bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide)?
The IUPAC name of bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide) (CID 159772197) is bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide).
What is the SMILES notation for bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide)?
The canonical SMILES for bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide) is COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.
What is the InChIKey of bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide)?
The InChIKey is NGGIMYYQNVGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H19ClN4O3.2C24H18ClN5O2/c2*1-33-23-12-10-19(15-28-23)30-25(32)17-7-5-16(6-8-17)24(31)29-18-9-11-21(26)20(14-18)22-4-2-3-13-27-22;2*25-20-10-8-17(13-19(20)21-3-1-2-12-27-21)29-23(31)15-4-6-16(7-5-15)24(32)30-18-9-11-22(26)28-14-18/h2*2-15H,1H3,(H,29,31)(H,30,32);2*1-14H,(H2,26,28)(H,29,31)(H,30,32).
What are the key properties of bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide)?
bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide) has a molecular weight of 1805.60 g/mol, XLogP of 20.39, 22 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide) is sourced from PubChem (CID 159772197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).