1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide

C30H22N4O2 — CID 171423296

IUPAC1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(-c2ccncc2)cc1)c1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C30H22N4O2/c35-29(33-27-9-5-21(6-10-27)23-13-17-31-18-14-23)25-1-2-26(4-3-25)30(36)34-28-11-7-22(8-12-28)24-15-19-32-20-16-24/h1-20H,(H,33,35)(H,34,36)
InChIKeySETRIKXRMYYAJE-UHFFFAOYSA-N
MW470.53 g/mol
LogP6.32
Rot. Bonds6

About 1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 171423296) has the molecular formula C30H22N4O2 and a molecular weight of 470.53 g/mol. Its IUPAC name is 1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID171423296
Molecular FormulaC30H22N4O2
Molecular Weight470.53 g/mol
Exact Mass470.17
IUPAC Name1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(-c2ccncc2)cc1)c1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C30H22N4O2/c35-29(33-27-9-5-21(6-10-27)23-13-17-31-18-14-23)25-1-2-26(4-3-25)30(36)34-28-11-7-22(8-12-28)24-15-19-32-20-16-24/h1-20H,(H,33,35)(H,34,36)
InChIKeySETRIKXRMYYAJE-UHFFFAOYSA-N
XLogP6.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide
CID 110461708
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride
CID 118483954
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide (CID 171423296) is 1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide is O=C(Nc1ccc(-c2ccncc2)cc1)c1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is SETRIKXRMYYAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O2/c35-29(33-27-9-5-21(6-10-27)23-13-17-31-18-14-23)25-1-2-26(4-3-25)30(36)34-28-11-7-22(8-12-28)24-15-19-32-20-16-24/h1-20H,(H,33,35)(H,34,36).
What are the key properties of 1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 470.53 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 171423296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).