3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide

C28H23N5O5 — CID 122187963

IUPAC3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)cc1
InChIInChI=1S/C28H23N5O5/c1-17(34)30-21-10-5-18(6-11-21)28(38)32-24-16-20(26(29)36)9-14-23(24)31-27(37)19-7-12-22(13-8-19)33-15-3-2-4-25(33)35/h2-16H,1H3,(H2,29,36)(H,30,34)(H,31,37)(H,32,38)
InChIKeyXSOXUBOSAFNFGZ-UHFFFAOYSA-N
MW509.52 g/mol
LogP3.40
Rot. Bonds7

About 3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide

3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide (PubChem CID 122187963) has the molecular formula C28H23N5O5 and a molecular weight of 509.52 g/mol. Its IUPAC name is 3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
PubChem CID122187963
Molecular FormulaC28H23N5O5
Molecular Weight509.52 g/mol
Exact Mass509.17
IUPAC Name3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)cc1
InChIInChI=1S/C28H23N5O5/c1-17(34)30-21-10-5-18(6-11-21)28(38)32-24-16-20(26(29)36)9-14-23(24)31-27(37)19-7-12-22(13-8-19)33-15-3-2-4-25(33)35/h2-16H,1H3,(H2,29,36)(H,30,34)(H,31,37)(H,32,38)
InChIKeyXSOXUBOSAFNFGZ-UHFFFAOYSA-N
XLogP3.40
TPSA152.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.52
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The IUPAC name of 3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide (CID 122187963) is 3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide is CC(=O)Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)cc1.
What is the InChIKey of 3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The InChIKey is XSOXUBOSAFNFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O5/c1-17(34)30-21-10-5-18(6-11-21)28(38)32-24-16-20(26(29)36)9-14-23(24)31-27(37)19-7-12-22(13-8-19)33-15-3-2-4-25(33)35/h2-16H,1H3,(H2,29,36)(H,30,34)(H,31,37)(H,32,38).
What are the key properties of 3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide has a molecular weight of 509.52 g/mol, XLogP of 3.40, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidobenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide is sourced from PubChem (CID 122187963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).