N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide

C24H26N4O2 — CID 166629333

IUPACN-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide
SMILESCC(=O)NCCNCc1ccc(NC(=O)c2cccc(-c3ccccc3)c2C)nc1
InChIInChI=1S/C24H26N4O2/c1-17-21(20-7-4-3-5-8-20)9-6-10-22(17)24(30)28-23-12-11-19(16-27-23)15-25-13-14-26-18(2)29/h3-12,16,25H,13-15H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyJPVGQYZTTVVXKW-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.54
Rot. Bonds8

About N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide

N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide (PubChem CID 166629333) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide.

Molecular Properties

Compound NameN-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide
PubChem CID166629333
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide
SMILESCC(=O)NCCNCc1ccc(NC(=O)c2cccc(-c3ccccc3)c2C)nc1
InChIInChI=1S/C24H26N4O2/c1-17-21(20-7-4-3-5-8-20)9-6-10-22(17)24(30)28-23-12-11-19(16-27-23)15-25-13-14-26-18(2)29/h3-12,16,25H,13-15H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyJPVGQYZTTVVXKW-UHFFFAOYSA-N
XLogP3.54
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide?
The IUPAC name of N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide (CID 166629333) is N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide.
What is the SMILES notation for N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide?
The canonical SMILES for N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide is CC(=O)NCCNCc1ccc(NC(=O)c2cccc(-c3ccccc3)c2C)nc1.
What is the InChIKey of N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide?
The InChIKey is JPVGQYZTTVVXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-21(20-7-4-3-5-8-20)9-6-10-22(17)24(30)28-23-12-11-19(16-27-23)15-25-13-14-26-18(2)29/h3-12,16,25H,13-15H2,1-2H3,(H,26,29)(H,27,28,30).
What are the key properties of N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide?
N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide has a molecular weight of 402.50 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-methyl-3-phenylbenzamide is sourced from PubChem (CID 166629333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).