5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide

C21H19N3O3 — CID 44571914

IUPAC5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)cc1
InChIInChI=1S/C21H19N3O3/c1-14-5-8-16(23-20(25)15-6-9-18(27-2)10-7-15)12-19(14)21(26)24-17-4-3-11-22-13-17/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyRWIWGVKYQLNBEX-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.90
Rot. Bonds5

About 5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide

5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 44571914) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID44571914
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)cc1
InChIInChI=1S/C21H19N3O3/c1-14-5-8-16(23-20(25)15-6-9-18(27-2)10-7-15)12-19(14)21(26)24-17-4-3-11-22-13-17/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyRWIWGVKYQLNBEX-UHFFFAOYSA-N
XLogP3.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide (CID 44571914) is 5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide is COc1ccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)cc1.
What is the InChIKey of 5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is RWIWGVKYQLNBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-5-8-16(23-20(25)15-6-9-18(27-2)10-7-15)12-19(14)21(26)24-17-4-3-11-22-13-17/h3-13H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 361.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44571914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).