N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide

C24H28N4O2 — CID 11632795

IUPACN-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide
SMILESCCOCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1
InChIInChI=1S/C24H28N4O2/c1-3-30-13-12-26-15-18-14-17(2)23(27-16-18)19-8-10-20(11-9-19)24(29)28-22-7-5-4-6-21(22)25/h4-11,14,16,26H,3,12-13,15,25H2,1-2H3,(H,28,29)
InChIKeyQACDJMVETACYHL-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.02
Rot. Bonds9

About N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide

N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide (PubChem CID 11632795) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide
PubChem CID11632795
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide
SMILESCCOCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1
InChIInChI=1S/C24H28N4O2/c1-3-30-13-12-26-15-18-14-17(2)23(27-16-18)19-8-10-20(11-9-19)24(29)28-22-7-5-4-6-21(22)25/h4-11,14,16,26H,3,12-13,15,25H2,1-2H3,(H,28,29)
InChIKeyQACDJMVETACYHL-UHFFFAOYSA-N
XLogP4.02
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide (CID 11632795) is N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide is CCOCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide?
The InChIKey is QACDJMVETACYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-30-13-12-26-15-18-14-17(2)23(27-16-18)19-8-10-20(11-9-19)24(29)28-22-7-5-4-6-21(22)25/h4-11,14,16,26H,3,12-13,15,25H2,1-2H3,(H,28,29).
What are the key properties of N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide?
N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.02, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide is sourced from PubChem (CID 11632795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).