5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide

C22H22N4O2 — CID 44571803

IUPAC5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H22N4O2/c1-15-9-10-17(13-20(15)22(28)25-18-7-5-11-23-14-18)24-21(27)16-6-4-8-19(12-16)26(2)3/h4-14H,1-3H3,(H,24,27)(H,25,28)
InChIKeyOWBNNDBFOXLSDO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.96
Rot. Bonds5

About 5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide

5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 44571803) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID44571803
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H22N4O2/c1-15-9-10-17(13-20(15)22(28)25-18-7-5-11-23-14-18)24-21(27)16-6-4-8-19(12-16)26(2)3/h4-14H,1-3H3,(H,24,27)(H,25,28)
InChIKeyOWBNNDBFOXLSDO-UHFFFAOYSA-N
XLogP3.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide (CID 44571803) is 5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is OWBNNDBFOXLSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-9-10-17(13-20(15)22(28)25-18-7-5-11-23-14-18)24-21(27)16-6-4-8-19(12-16)26(2)3/h4-14H,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44571803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).