bis(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

C73H55Cl3N14O7 — CID 158435026

IUPACbis(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
SMILESCOc1ccc(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/C25H19ClN4O3.2C24H18ClN5O2/c1-33-23-12-10-19(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/h2-15H,1H3,(H,29,31)(H,30,32);2*1-14H,(H2,26,28)(H,29,31)(H,30,32)
InChIKeyHCCSZYODLZQLQZ-UHFFFAOYSA-N
MW1346.69 g/mol
LogP15.08
Rot. Bonds16

About bis(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

bis(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 (PubChem CID 158435026) has the molecular formula C73H55Cl3N14O7 and a molecular weight of 1346.69 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);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);1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide
PubChem CID158435026
Molecular FormulaC73H55Cl3N14O7
Molecular Weight1346.69 g/mol
Exact Mass1344.34
IUPAC Namebis(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
SMILESCOc1ccc(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/C25H19ClN4O3.2C24H18ClN5O2/c1-33-23-12-10-19(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/h2-15H,1H3,(H,29,31)(H,30,32);2*1-14H,(H2,26,28)(H,29,31)(H,30,32)
InChIKeyHCCSZYODLZQLQZ-UHFFFAOYSA-N
XLogP15.08
TPSA313.21 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001346.69
LogP ≤ 515.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze bis(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 with MolForge

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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
[5-[[4-[(3-Methylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-chloro-2-pyridinyl)piperazine-1-carboxylate
CID 69540927
[5-[[4-[(2-Methylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-chloro-2-pyridinyl)piperazine-1-carboxylate
CID 69541081
[5-[[4-[(2-Ethylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-chloro-2-pyridinyl)piperazine-1-carboxylate
CID 69541350
[5-[[4-[(4-Methylpiperidin-1-yl)methyl]benzoyl]amino]-2-pyridinyl] 4-(5-chloro-2-pyridinyl)piperazine-1-carboxylate
CID 69541535
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-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

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);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);1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide (CID 158435026) is bis(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.
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);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);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.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);1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide?
The InChIKey is HCCSZYODLZQLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3.2C24H18ClN5O2/c1-33-23-12-10-19(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/h2-15H,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);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);1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide has a molecular weight of 1346.69 g/mol, XLogP of 15.08, 16 rotatable bonds, 8 hydrogen bond donors, and 15 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);1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 158435026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).