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

C24H25N3O3 — CID 44571868

IUPAC2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C24H25N3O3/c1-16(2)15-30-21-8-4-6-18(12-21)23(28)26-19-10-9-17(3)22(13-19)24(29)27-20-7-5-11-25-14-20/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQHAUVGUPQQFAJT-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.93
Rot. Bonds7

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

2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide (PubChem CID 44571868) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide
PubChem CID44571868
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C24H25N3O3/c1-16(2)15-30-21-8-4-6-18(12-21)23(28)26-19-10-9-17(3)22(13-19)24(29)27-20-7-5-11-25-14-20/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQHAUVGUPQQFAJT-UHFFFAOYSA-N
XLogP4.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide (CID 44571868) is 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide?
The InChIKey is QHAUVGUPQQFAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16(2)15-30-21-8-4-6-18(12-21)23(28)26-19-10-9-17(3)22(13-19)24(29)27-20-7-5-11-25-14-20/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide?
2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide has a molecular weight of 403.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44571868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).