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

C22H21N3O3 — CID 68847824

IUPAC5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)cc1
InChIInChI=1S/C22H21N3O3/c1-3-28-19-10-7-16(8-11-19)21(26)24-17-9-6-15(2)20(13-17)22(27)25-18-5-4-12-23-14-18/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyVUOPWFTXDSFGOG-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.29
Rot. Bonds6

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

5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 68847824) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID68847824
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)cc1
InChIInChI=1S/C22H21N3O3/c1-3-28-19-10-7-16(8-11-19)21(26)24-17-9-6-15(2)20(13-17)22(27)25-18-5-4-12-23-14-18/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyVUOPWFTXDSFGOG-UHFFFAOYSA-N
XLogP4.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
[3-[[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174551507
[3-[[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]phenyl]methanesulfinate
CID 174551506
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
CID 2995644
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-(3-ethoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107025835
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108789

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide (CID 68847824) is 5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide is CCOc1ccc(C(=O)Nc2ccc(C)c(C(=O)Nc3cccnc3)c2)cc1.
What is the InChIKey of 5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is VUOPWFTXDSFGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-28-19-10-7-16(8-11-19)21(26)24-17-9-6-15(2)20(13-17)22(27)25-18-5-4-12-23-14-18/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 375.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 68847824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).