4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide

C22H20N4O3 — CID 109047706

IUPAC4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H20N4O3/c1-15(27)25-19-8-10-20(11-9-19)26-22(29)18-6-4-17(5-7-18)21(28)24-14-16-3-2-12-23-13-16/h2-13H,14H2,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyVPMCSGHWJHTLNH-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.22
Rot. Bonds6

About 4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide

4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109047706) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109047706
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H20N4O3/c1-15(27)25-19-8-10-20(11-9-19)26-22(29)18-6-4-17(5-7-18)21(28)24-14-16-3-2-12-23-13-16/h2-13H,14H2,1H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyVPMCSGHWJHTLNH-UHFFFAOYSA-N
XLogP3.22
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047684
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087382
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide (CID 109047706) is 4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)NCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is VPMCSGHWJHTLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15(27)25-19-8-10-20(11-9-19)26-22(29)18-6-4-17(5-7-18)21(28)24-14-16-3-2-12-23-13-16/h2-13H,14H2,1H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of 4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).