4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide

C20H17N3O3 — CID 972486

IUPAC4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C20H17N3O3/c1-26-18-10-6-15(7-11-18)19(24)22-16-8-4-14(5-9-16)20(25)23-17-3-2-12-21-13-17/h2-13H,1H3,(H,22,24)(H,23,25)
InChIKeyXIPBNTRHHVXBBM-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.59
Rot. Bonds5

About 4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide

4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 972486) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID972486
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C20H17N3O3/c1-26-18-10-6-15(7-11-18)19(24)22-16-8-4-14(5-9-16)20(25)23-17-3-2-12-21-13-17/h2-13H,1H3,(H,22,24)(H,23,25)
InChIKeyXIPBNTRHHVXBBM-UHFFFAOYSA-N
XLogP3.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide (CID 972486) is 4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide is COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is XIPBNTRHHVXBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-26-18-10-6-15(7-11-18)19(24)22-16-8-4-14(5-9-16)20(25)23-17-3-2-12-21-13-17/h2-13H,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide?
4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide has a molecular weight of 347.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxybenzoyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 972486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).