1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid

C26H20N4O6 — CID 139082317

IUPAC1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid
SMILESO=C(Nc1cccnc1)c1ccc(C(=O)Nc2cccnc2)cc1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C18H14N4O2.C8H6O4/c23-17(21-15-3-1-9-19-11-15)13-5-7-14(8-6-13)18(24)22-16-4-2-10-20-12-16;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-12H,(H,21,23)(H,22,24);1-4H,(H,9,10)(H,11,12)
InChIKeyAKHHWQKMBVESTQ-UHFFFAOYSA-N
MW484.47 g/mol
LogP4.06
Rot. Bonds6

About 1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid

1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid (PubChem CID 139082317) has the molecular formula C26H20N4O6 and a molecular weight of 484.47 g/mol. Its IUPAC name is 1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid.

Molecular Properties

Compound Name1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid
PubChem CID139082317
Molecular FormulaC26H20N4O6
Molecular Weight484.47 g/mol
Exact Mass484.14
IUPAC Name1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid
SMILESO=C(Nc1cccnc1)c1ccc(C(=O)Nc2cccnc2)cc1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C18H14N4O2.C8H6O4/c23-17(21-15-3-1-9-19-11-15)13-5-7-14(8-6-13)18(24)22-16-4-2-10-20-12-16;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-12H,(H,21,23)(H,22,24);1-4H,(H,9,10)(H,11,12)
InChIKeyAKHHWQKMBVESTQ-UHFFFAOYSA-N
XLogP4.06
TPSA158.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
3-(4-Phenylbutanoylamino)pyridine-4-carboxylic acid
CID 64394751
2-([1,1'-Biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
CID 133107895
4-[[3-[2-(Aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]phenyl]carbamoyl]benzoic acid
CID 118737374
6-(4-Carboxyphenyl)-8-(3-cyanophenyl)-1,7-naphthyridine
CID 9928390
3-[2-[1-[[4-(Aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-4-pyridinyl]benzoic acid
CID 11576157
4-[[4-Oxo-6-(pyridin-4-ylmethylcarbamoyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid
CID 11604052
4-[[6-(Benzylcarbamoyl)-4-oxopyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid
CID 11668791
2-phenyl-3-(4-pyridyl)-5-[(4-carboxy)phenyl]-1H-pyrrole
CID 44323661
Endo-4-((3-(4-(pyridin-4-ylmethyl)phenylamino)-8-aza-bicyclo[3.2.1]octan-8-yl)methyl)benzoic acid
CID 44567648
3-(3-Phenylpropanoylamino)pyridine-4-carboxylic acid
CID 64393791

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid?
The IUPAC name of 1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid (CID 139082317) is 1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid.
What is the SMILES notation for 1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid?
The canonical SMILES for 1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid is O=C(Nc1cccnc1)c1ccc(C(=O)Nc2cccnc2)cc1.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid?
The InChIKey is AKHHWQKMBVESTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2.C8H6O4/c23-17(21-15-3-1-9-19-11-15)13-5-7-14(8-6-13)18(24)22-16-4-2-10-20-12-16;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-12H,(H,21,23)(H,22,24);1-4H,(H,9,10)(H,11,12).
What are the key properties of 1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid?
1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid has a molecular weight of 484.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dipyridin-3-ylbenzene-1,4-dicarboxamide;terephthalic acid is sourced from PubChem (CID 139082317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).